@Preamble{"\input ijqc.sty" #
"\ifx \undefined \booktitle \def \booktitle#1{{{\em #1}}} \fi" #
"\ifx \undefined \ocirc \def \ocirc #1{{\accent'27#1}}\fi"
}
@String{ack-nhfb = "Nelson H. F. Beebe,
University of Utah,
Department of Mathematics, 110 LCB,
155 S 1400 E RM 233,
Salt Lake City, UT 84112-0090, USA,
Tel: +1 801 581 5254,
FAX: +1 801 581 4148,
e-mail: \path|beebe@math.utah.edu|,
\path|beebe@acm.org|,
\path|beebe@computer.org| (Internet),
URL: \path|https://www.math.utah.edu/~beebe/|"}
@String{j-IJQC = "International Journal of Quantum Chemistry"}
@String{pub-ACADEMIC = "Academic Press"}
@String{pub-ACADEMIC:adr = "New York, USA"}
@String{pub-AKADEMIE-VERLAG = "Akademie-Verlag"}
@String{pub-AKADEMIE-VERLAG:adr = "Berlin, Germany"}
@String{pub-BENCUM = "Benjamin\slash Cummings Pub. Co."}
@String{pub-BENCUM:adr = "Menlo Park, CA, USA"}
@String{pub-BENJAMIN = "W. A. {Benjamin, Inc.}"}
@String{pub-BENJAMIN:adr = "New York, NY, USA"}
@String{pub-BUTTERWORTHS = "Butterworths"}
@String{pub-BUTTERWORTHS:adr = "London, UK"}
@String{pub-CLARENDON = "Clarendon Press"}
@String{pub-CLARENDON:adr = "New York, NY, USA"}
@String{pub-DOVER = "Dover Publications, Inc."}
@String{pub-DOVER:adr = "New York, NY, USA"}
@String{pub-ELLIS-HORWOOD = "Ellis Horwood"}
@String{pub-ELLIS-HORWOOD:adr = "New York, NY, USA"}
@String{pub-ELSEVIER = "Elsevier"}
@String{pub-ELSEVIER:adr = "Amsterdam, The Netherlands"}
@String{pub-KLUWER = "Kluwer Academic Publishers"}
@String{pub-KLUWER:adr = "Norwell, MA, USA, and Dordrecht, The
Netherlands"}
@String{pub-MCGRAW-HILL = "Mc{\-}Graw-Hill"}
@String{pub-MCGRAW-HILL:adr = "New York, NY, USA"}
@String{pub-OXFORD = "Oxford University Press"}
@String{pub-OXFORD:adr = "Walton Street, Oxford OX2 6DP, UK"}
@String{pub-PH = "Pren{\-}tice-Hall"}
@String{pub-PH:adr = "Upper Saddle River, NJ 07458, USA"}
@String{pub-PLENUM = "Plenum Press"}
@String{pub-PLENUM:adr = "New York, NY, USA; London, UK"}
@String{pub-R-E-KRIEGER = "Robert E. Krieger Publishing Company"}
@String{pub-R-E-KRIEGER:adr = "Huntington, NY, USA"}
@String{pub-REIDEL = "D. Reidel"}
@String{pub-REIDEL:adr = "Dordrecht, Boston, Lancaster, Tokyo"}
@String{pub-SV = "Springer-Verlag"}
@String{pub-SV:adr = "Berlin, Germany~/ Heidelberg, Germany~/
London, UK~/ etc."}
@String{pub-WILEY = "John Wiley"}
@String{pub-WILEY:adr = "New York, NY, USA"}
@Article{Belinfante:1980:DMF,
author = "Frederik J. Belinfante",
title = "Density matrix formulation of quantum theory and its
physical interpretation",
journal = j-IJQC,
volume = "17",
number = "1",
pages = "1--24",
month = jan,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170102",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Girardeau:1980:SQC,
author = "M. D. Girardeau",
title = "Second quantization for composite particles, reactive
collisions, and unstable particles",
journal = j-IJQC,
volume = "17",
number = "1",
pages = "25--35",
month = jan,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170103",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Recami:1980:ELN,
author = "E. Recami",
title = "Explaining the ``large numbers'' via a unified
(classical) theory of strong and gravitational
interactions",
journal = j-IJQC,
volume = "17",
number = "1",
pages = "37--40",
month = jan,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170104",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jackiw:1980:TDV,
author = "R. Jackiw",
title = "Time-dependent variational principle in quantum field
theory",
journal = j-IJQC,
volume = "17",
number = "1",
pages = "41--46",
month = jan,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170105",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Broyles:1980:CMO,
author = "A. A. Broyles",
title = "Coordinate measurements and operators",
journal = j-IJQC,
volume = "17",
number = "1",
pages = "47--74",
month = jan,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170106",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fusco-Girard:1980:QFT,
author = "M. Fusco-Girard and F. Mancini and M. Marinaro",
title = "Quantum-field theory and electrodynamics of
superconducting systems",
journal = j-IJQC,
volume = "17",
number = "1",
pages = "75--82",
month = jan,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170107",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jasselette:1980:IPD,
author = "P. Jasselette",
title = "Interventions in the panel discussion on measurement
process and interpretation of quantum mechanics",
journal = j-IJQC,
volume = "17",
number = "1",
pages = "83--84",
month = jan,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170108",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chow:1980:FBS,
author = "Yutze Chow",
title = "Fiber bundles, sheaf theory, and generalization of
differentiable manifolds in physics",
journal = j-IJQC,
volume = "17",
number = "1",
pages = "85--97",
month = jan,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170109",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ingolfsson:1980:NAS,
author = "K. Ing{\'o}lfsson",
title = "Notes on asymptotic series by {H$^0$}-strictly
singular perturbations",
journal = j-IJQC,
volume = "17",
number = "1",
pages = "99--106",
month = jan,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170110",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Emch:1980:IDA,
author = "G{\'e}rard G. Emch",
title = "Irreversibility, decay, and asymptotic dynamics",
journal = j-IJQC,
volume = "17",
number = "1",
pages = "107--120",
month = jan,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170111",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Green:1980:SDM,
author = "H. S. Green",
title = "Semigroups and the density matrix formulation of
quantum mechanics",
journal = j-IJQC,
volume = "17",
number = "1",
pages = "121--132",
month = jan,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170112",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hunter:1980:NWF,
author = "Geoffrey Hunter",
title = "Nodeless wave function quantum theory",
journal = j-IJQC,
volume = "17",
number = "1",
pages = "133--137",
month = jan,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170113",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Halpern:1980:CLN,
author = "Francis R. Halpern",
title = "Classical limit of a nonseparable problem with
exchange: {Comparison} of classical and quantum
mechanics",
journal = j-IJQC,
volume = "17",
number = "1",
pages = "139--143",
month = jan,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170114",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Claverie:1980:SRC,
author = "Pierre Claverie",
title = "Some remarks concerning the simulation of stochastic
processes on digital computers",
journal = j-IJQC,
volume = "17",
number = "1",
pages = "145--148",
month = jan,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170115",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Goscinski:1980:BRB,
author = "Osvaldo Goscinski",
title = "Book Review: {{\booktitle{Excited states in quantum
chemistry}}. Edited by Cleantes Nicolaides and D. R.
Beck. D. Reidel Publishing Co., Dordrecht, 1979. 576
pp. Price: \$59.00}",
journal = j-IJQC,
volume = "17",
number = "1",
pages = "149--149",
month = jan,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170116",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Nicolaides:1979:ESQ}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1980:AS,
author = "Anonymous",
title = "{ACS} symposium",
journal = j-IJQC,
volume = "17",
number = "1",
pages = "151--151",
month = jan,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170117",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1980:Ma,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "17",
number = "1",
pages = "fmi--fmii",
month = jan,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170101",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Duprez-Quesnoit:1980:DIMa,
author = "C. Duprez-Quesnoit and J. Tillieu",
title = "Definition of invariant molecular tensors in an origin
change. {I}. {General} formalism",
journal = j-IJQC,
volume = "17",
number = "2",
pages = "155--167",
month = feb,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170202",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Duprez-Quesnoit:1980:DIMb,
author = "C. Duprez-Quesnoit",
title = "Definition of invariant molecular tensors in an origin
change. {II}. {Refraction} and {Faraday} effect",
journal = j-IJQC,
volume = "17",
number = "2",
pages = "169--179",
month = feb,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170203",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Macias:1980:UMP,
author = "A. Mac{\'\i}as and A. Riera",
title = "Use of molecular properties in the one-dimensional
model of nonadiabatic transitions",
journal = j-IJQC,
volume = "17",
number = "2",
pages = "181--194",
month = feb,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170204",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hubac:1980:CEP,
author = "Ivan Huba{\v{c}}",
title = "Comments on the exclusion-principle-violating diagrams
cancellation in correlations energy calculation by
many-body {Rayleigh--Schr{\"o}dinger} perturbation
theory",
journal = j-IJQC,
volume = "17",
number = "2",
pages = "195--209",
month = feb,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170205",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Douady:1980:PCI,
author = "J. Douady and V. Barone and Y. Ellinger and R.
Subra",
title = "Perturbative configuration interaction using localized
orbitals in the {INDO} hypothesis. {I}. {Theory} and
applications to energetical problems",
journal = j-IJQC,
volume = "17",
number = "2",
pages = "211--233",
month = feb,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170206",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fabian:1980:AIE,
author = "J. Fabian and A. Mehlhorn and F. Fratev",
title = "Approaches for interpreting $\pi$ electronic states
and $\pi$ electronic transitions",
journal = j-IJQC,
volume = "17",
number = "2",
pages = "235--253",
month = feb,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170207",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gyemant:1980:REE,
author = "I. Gyemant and Zs. Varga and M. G. Benedict",
title = "Resonances in the elastic {electron-SF$_6$} molecule
scattering",
journal = j-IJQC,
volume = "17",
number = "2",
pages = "255--263",
month = feb,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170208",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ananchenkov:1980:REB,
author = "V. I. Ananchenkov and V. B. Leontyev",
title = "Realization of the elementary biological function as a
localized electron subsystem interaction process",
journal = j-IJQC,
volume = "17",
number = "2",
pages = "265--272",
month = feb,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170209",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kovarskii:1980:EMN,
author = "V. A. Kovarskii and I. A. Chaikovskii and E. A.
Popov",
title = "Electron mechanism of nonequilibrium molecular
vibration excitation in biological systems",
journal = j-IJQC,
volume = "17",
number = "2",
pages = "273--283",
month = feb,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170210",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Basilevsky:1980:MNM,
author = "M. V. Basilevsky and A. G. Shamov",
title = "Modification of the {NDO} model in semiempirical {MO}
theory",
journal = j-IJQC,
volume = "17",
number = "2",
pages = "285--292",
month = feb,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170211",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Geller:1980:EPA,
author = "M. Geller and B. Lesyng and A. Pohorille",
title = "Energy of planar autoassociation of xanthine and
spatial structure of poly(riboxanthylic acid)",
journal = j-IJQC,
volume = "17",
number = "2",
pages = "293--298",
month = feb,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170212",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Vitkovskaya:1980:QCI,
author = "N. M. Vitkovskaya and V. B. Mantsivoda and T. E.
Moskovskaya and M. G. Voronkov",
title = "Quantum-chemical investigation of the silicon and
carbon coordination bond in their isostructural
compounds",
journal = j-IJQC,
volume = "17",
number = "2",
pages = "299--305",
month = feb,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170213",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Danilov:1980:EAE,
author = "V. I. Danilov and V. I. Pechenaya and N. V.
Zheltovsky",
title = "Electronic absorption and emission spectra of nucleic
acids and their components: {Some} questions of theory
and experiment",
journal = j-IJQC,
volume = "17",
number = "2",
pages = "307--320",
month = feb,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170214",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{IlIcheva:1980:CSD,
author = "I. A. Il'Icheva and V. G. Tumanyan and A. E. Kister
and V. G. Dashevsky",
title = "Conformational studies of double-helical
polynucleotides by the method of pair-wise potential
functions",
journal = j-IJQC,
volume = "17",
number = "2",
pages = "321--326",
month = feb,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170215",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rossikhin:1980:DPE,
author = "V. V. Rossikhin and E. O. Voronkov and Yu. A.
Kruglyak",
title = "Determination of potential-energy surface of molecules
in an applied field on the basis of virial relations",
journal = j-IJQC,
volume = "17",
number = "2",
pages = "327--338",
month = feb,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170216",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sukhorukov:1980:ISO,
author = "B. I. Sukhorukov and I. Ya. Gukovsky and A. I. Petrov
and A. S. Gukovskaya and A. A. Mayevsky and
N. M. Gusenkova",
title = "Interactions and self-organization of nucleic bases,
nucleotides, and polynucleotides into ordered
structures. {Effect} of ionization and solvent salt
composition",
journal = j-IJQC,
volume = "17",
number = "2",
pages = "339--359",
month = feb,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170217",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Yasnikov:1980:HPP,
author = "A. A. Yasnikov and N. V. Volkova and N. P. Kanivets
and L. S. Mushketik and L. I. Vasilenok and
V. P. Kukhar' and A. F. Pavlenko",
title = "Hydrophobic ``pocket'' on photosynthesizing membrane
near photosystem {II}",
journal = j-IJQC,
volume = "17",
number = "2",
pages = "361--366",
month = feb,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170218",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Minaev:1980:ISF,
author = "B. F. Minaev",
title = "Intensities of spin-forbidden transitions in molecular
oxygen and selective heavy-atom effects",
journal = j-IJQC,
volume = "17",
number = "2",
pages = "367--374",
month = feb,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170219",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1980:Mb,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "17",
number = "2",
pages = "fmi--fmii",
month = feb,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170201",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Clementi:1980:NIW,
author = "E. Clementi and W. Ko{\l}os and G. C. Lie and G.
Ranghino",
title = "Nonadditivity of interaction in water trimers",
journal = j-IJQC,
volume = "17",
number = "3",
pages = "377--398",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170302",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Basilevsky:1980:VRQ,
author = "M. V. Basilevsky and N. N. Weinberg",
title = "On the validity range of the qualitative theory of
chemical reactivity",
journal = j-IJQC,
volume = "17",
number = "3",
pages = "399--413",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170303",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Klimko:1980:FCF,
author = "G. T. Klimko and M. M. Mestechkin and G. E. Whyman",
title = "{Fock} coordinate function method for separation of
spin variables in transition density matrices",
journal = j-IJQC,
volume = "17",
number = "3",
pages = "415--428",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170304",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kolos:1980:IMM,
author = "W. Ko{\l}os and G. Ranghino and E. Clementi and O.
Novaro",
title = "Interaction of methane molecules",
journal = j-IJQC,
volume = "17",
number = "3",
pages = "429--448",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170305",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dalgaard:1980:VPT,
author = "Esper Dalgaard",
title = "Variation principle for the time dependence of density
operators and its relation to linear decoupling
procedures for propagators",
journal = j-IJQC,
volume = "17",
number = "3",
pages = "449--458",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170306",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{LiberatoDeBrito:1980:TUI,
author = "Adelsindo {Liberato De Brito} and Tomas P. Eggarter",
title = "Two useful identities involving spherical harmonics",
journal = j-IJQC,
volume = "17",
number = "3",
pages = "459--465",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170307",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ransil:1980:HGG,
author = "Bernard J. Ransil",
title = "How good is good agreement: {Evaluating} the
reliability of quantum-mechanically calculated
observables",
journal = j-IJQC,
volume = "17",
number = "3",
pages = "467--478",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170308",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Waltz:1980:CME,
author = "Carl E. Waltz and Hae-Won Kim and Hendrik F. Hameka",
title = "Calculation of molecular electric polarizabilities and
dipole moments. {III}. {BH} molecule",
journal = j-IJQC,
volume = "17",
number = "3",
pages = "479--483",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170309",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Roos:1980:DCM,
author = "Bj{\"o}rn O. Roos and Per E. M. Siegbahn",
title = "A direct {CI} method with a multiconfigurational
reference state",
journal = j-IJQC,
volume = "17",
number = "3",
pages = "485--500",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170310",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pisani:1980:EEH,
author = "C. Pisani and R. Dovesi",
title = "Exact-exchange {Hartree--Fock} calculations for
periodic systems. {I}. {Illustration} of the method",
journal = j-IJQC,
volume = "17",
number = "3",
pages = "501--516",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170311",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dovesi:1980:EEH,
author = "R. Dovesi and C. Pisani and C. Roetti",
title = "Exact-exchange {Hartree--Fock} calculations for
periodic systems. {II}. {Results} for graphite and
hexagonal boron nitride",
journal = j-IJQC,
volume = "17",
number = "3",
pages = "517--529",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170312",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Smet:1980:EHF,
author = "F. Smet and J. Tillieu and Et. A. {Van Groenendael}",
title = "Equations de {Hartree--Fock} dependant du temps",
journal = j-IJQC,
volume = "17",
number = "3",
pages = "531--547",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170313",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Randic:1980:REV,
author = "Milan Randi{\'c}",
title = "Resonance energy of very large benzenoid
hydrocarbons",
journal = j-IJQC,
volume = "17",
number = "3",
pages = "549--586",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170314",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rubin:1980:PEP,
author = "A. B. Rubin and A. A. Kononenko and P. S. Venediktov
and Galina P. Borisevitch and P. P. Knox and
E. P. Lukashev",
title = "Polarization effects in photosynthetic membranes",
journal = j-IJQC,
volume = "17",
number = "3",
pages = "587--593",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170315",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Maartensson:1980:BRB,
author = "Olle M{\aa}rtensson",
title = "Book Review: {{\booktitle{Dielectric and electronic
properties of biological materials}}. R. Pethig. John
Wiley \& Sons, New York, 1979. 376 pp. Price: \$15.00
(cloth)}",
journal = j-IJQC,
volume = "17",
number = "3",
pages = "595--595",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170316",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Pethig:1979:DEP}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1980:BR,
author = "Anonymous",
title = "Books {Received}",
journal = j-IJQC,
volume = "17",
number = "3",
pages = "596--596",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170317",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1980:Mc,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "17",
number = "3",
pages = "fmi--fmii",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170301",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{George:1980:OEE,
author = "Philip George and Mendel Trachtman and Charles W.
Bock",
title = "$\pi$-Orbital electron--energy contributions to
chemical reaction heats, {I}. {Reactions} involving
only linear molecules containing up to three first--row
atoms",
journal = j-IJQC,
volume = "17",
number = "4",
pages = "599--608",
month = apr,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170402",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fernandez:1980:FAI,
author = "Francisco M. Fern{\'a}ndez and Eduardo A. Castro",
title = "Further analysis of the iterative hypervirial-scaling
method",
journal = j-IJQC,
volume = "17",
number = "4",
pages = "609--618",
month = apr,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170403",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ho:1980:SPC,
author = "Fat D. Ho and Frank C. Sanders",
title = "Study of pair correlation in three-electron atoms",
journal = j-IJQC,
volume = "17",
number = "4",
pages = "619--629",
month = apr,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170404",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{TenHoor:1980:NHG,
author = "Marten J. {Ten Hoor}",
title = "Notes on hydrogenic {Gaussian} lobe functions",
journal = j-IJQC,
volume = "17",
number = "4",
pages = "631--642",
month = apr,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170405",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Yousif:1980:SOD,
author = "F. N. Yousif and G. C. Shukla",
title = "Second-order dispersion energy between interacting
hydrogen pairs by using the {Borel} integral",
journal = j-IJQC,
volume = "17",
number = "4",
pages = "643--650",
month = apr,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170406",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{vanDuijnen:1980:ASH,
author = "P. Th. van Duijnen and B. Th. Thole and Ria Broer and
W. C. Nieuwpoort",
title = "Active-site $\alpha$-helix in papain and the stability
of the ion pair {RS$^-$\dottedbond{}ImH$^+$}. {Ab}
initio molecular orbital study",
journal = j-IJQC,
volume = "17",
number = "4",
pages = "651--671",
month = apr,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170407",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Easa:1980:DMP,
author = "S. I. Easa and G. C. Shukla",
title = "Dynamic multipole polarizabilities of atomic systems",
journal = j-IJQC,
volume = "17",
number = "4",
pages = "673--678",
month = apr,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170408",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zaitsevskii:1980:PGO,
author = "A. V. Zaitsevskii and A. V. Nemukhin and N. F.
Stepanov",
title = "Possible generalization of the optimized diatomics-in
molecules theory: {Further} studies of the diatomic
state mixing parameter adjustment",
journal = j-IJQC,
volume = "17",
number = "4",
pages = "679--687",
month = apr,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170409",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Harriman:1980:UHS,
author = "John E. Harriman",
title = "Use of the {Hiller--Sucher--Feinberg} identity for
spin-density calculations",
journal = j-IJQC,
volume = "17",
number = "4",
pages = "689--695",
month = apr,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170410",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bulski:1980:DNB,
author = "T. Bulski and S. Olszewski and A. Wierzbicki",
title = "Density of non-{Bloch} electron states in perfect
cubic crystals",
journal = j-IJQC,
volume = "17",
number = "4",
pages = "697--718",
month = apr,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170411",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Larsson:1980:ICE,
author = "S. Larsson and P. Corr{\^e}a de Mello and M.
Hehenberger",
title = "Ab initio calculation of {ESCA} satellite intensities
for a copper--chlorine complex",
journal = j-IJQC,
volume = "17",
number = "4",
pages = "719--724",
month = apr,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170412",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Carbo:1980:STM,
author = "R. Carb{\'o} and Ll. Domingo and J. Gregori",
title = "{SCF} {Theory} of multiplet states",
journal = j-IJQC,
volume = "17",
number = "4",
pages = "725--736",
month = apr,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170413",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Csavinszky:1980:VPO,
author = "P. Csavinszky and C. E. Tarr and F. Vosman",
title = "Variational principle for obtaining approximate
analytical solutions of the temperature-perturbed
{Thomas--Fermi} equation for compressed atoms",
journal = j-IJQC,
volume = "17",
number = "4",
pages = "737--745",
month = apr,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170414",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Graovac:1980:SOM,
author = "Ante Graovac and Kre{\v{s}}imir Kova{\v{c}}evi{\'c}
and Zvonimir B. Maksi and Ahmet Veseli",
title = "Slater-orbital molecular integrals by numerical
{Fourier}-transform methods. {II}. {Four}-center
integrals over is orbitals",
journal = j-IJQC,
volume = "17",
number = "4",
pages = "747--757",
month = apr,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170415",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cooper:1980:ECE,
author = "Ian L. Cooper and Christopher N. M. Pounder",
title = "Electron correlation effects in {SCF} + {CI} wave
functions---{Fermi} and {Coulomb} correlation holes in
{HCN}",
journal = j-IJQC,
volume = "17",
number = "4",
pages = "759--774",
month = apr,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170416",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kolos:1980:TSS,
author = "W. Ko{\l}os and G. Corongiu and E. Clementi",
title = "Theoretical study of some {van der Waals} molecules",
journal = j-IJQC,
volume = "17",
number = "4",
pages = "775--798",
month = apr,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170417",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Adawi:1980:BED,
author = "I. Adawi",
title = "Behavior of the electron density near an impurity",
journal = j-IJQC,
volume = "17",
number = "4",
pages = "799--801",
month = apr,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170418",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Borodavkin:1980:AUS,
author = "A. V. Borodavkin and V. O. Chekhov and Yu. S. Dolin
and Yu. V. Morozov and F. A. Savin and E. I. Budowsky
and D. Yu. Yakovlev",
title = "Absorption {UV} spectroscopy and electronic structure
of ionic and tautomeric forms of hydroxy and methoxy
derivatives of cytosine and adenine, and of some
5-substituted analogs of pyrimidines",
journal = j-IJQC,
volume = "17",
number = "4",
pages = "803--811",
month = apr,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170419",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Polivtsev:1980:ITS,
author = "O. F. Polivtsev and V. D. Osika and D. Ya. Tsvankin",
title = "Investigation of tertiary structure of a series of
{DNA} compact forms by the small-angle {X}-ray
scattering method",
journal = j-IJQC,
volume = "17",
number = "4",
pages = "813--817",
month = apr,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170420",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1980:Md,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "17",
number = "4",
pages = "fmi--fmii",
month = apr,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170401",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Abdul-Ahad:1980:QSA,
author = "P. G. Abdul-Ahad and T. Blair and G. A. Webb",
title = "Quantitative structure--activity study of some
enzyme-inhibitory quinazolines",
journal = j-IJQC,
volume = "17",
number = "5",
pages = "821--831",
month = may,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170502",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Yusaf:1980:AFA,
author = "M. S. Yusaf and G. P. Lawes and N. H. March",
title = "Asymptotic forms of atomic scattering factors and
momentum densities",
journal = j-IJQC,
volume = "17",
number = "5",
pages = "833--844",
month = may,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170503",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bonchev:1980:TCC,
author = "D. Bonchev and Ov. Mekenyan and N. Trinajsti{\'c}",
title = "Topological characterization of cyclic structures",
journal = j-IJQC,
volume = "17",
number = "5",
pages = "845--893",
month = may,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170504",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{McDowell:1980:IBS,
author = "Keith McDowell",
title = "Incomplete basis set problem. {IV}. {Perturbative}
corrections to pair energies",
journal = j-IJQC,
volume = "17",
number = "5",
pages = "895--905",
month = may,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170505",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bhargava:1980:FSG,
author = "Shobha Bhargava and N. K. Ray",
title = "Floating spherical {Gaussian} orbital model study of
some hydrogen-bridged systems: {LiBeH$_3$}, {LiBH$_4$},
{LiCH$_5$}, and {BeBH$_5$}",
journal = j-IJQC,
volume = "17",
number = "5",
pages = "907--914",
month = may,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170506",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Story:1980:GAC,
author = "Troy L. Story",
title = "Global analysis of composite particles",
journal = j-IJQC,
volume = "17",
number = "5",
pages = "915--930",
month = may,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170507",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Requena:1980:ELP,
author = "A. Requena and R. Pe{\~n}a and A. Serna",
title = "Energy levels for perturbed {Morse} oscillators",
journal = j-IJQC,
volume = "17",
number = "5",
pages = "931--942",
month = may,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170508",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mohammad:1980:HAWa,
author = "S. Noor Mohammad",
title = "High accuracy wave functions and eigenenergies for
vibration--rotation states of diatomic molecules",
journal = j-IJQC,
volume = "17",
number = "5",
pages = "943--954",
month = may,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170509",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Seger:1980:ATD,
author = "G. Seger and E. Kochanski",
title = "Approximate theoretical determination of molecular
static polarizabilities",
journal = j-IJQC,
volume = "17",
number = "5",
pages = "955--968",
month = may,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170510",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Trsic:1980:IHF,
author = "M. Trsic and W. G. Laidlaw",
title = "Ab initio {Hartree--Fock--Slater} calculations of
polysulfanes {H$_2$S$_n$} ($n = 1{\rm --}4$) and the
ions {HS} and {S}",
journal = j-IJQC,
volume = "17",
number = "5",
pages = "969--974",
month = may,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170511",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Nyden:1980:PCG,
author = "Marc R. Nyden and G. A. Petersson",
title = "Pairwise correlated generalized valence bond model of
electronic structure. {VII}. {The} b$^3{\Sigma}$ state
of {H$_2$}",
journal = j-IJQC,
volume = "17",
number = "5",
pages = "975--982",
month = may,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170512",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hosur:1980:TDF,
author = "Ramakrishna V. Hosur and Anjan S. Joshipura",
title = "Theoretical description of fluidity in biological
membranes: {Rotational} motion in lipid hydrocarbon
chains",
journal = j-IJQC,
volume = "17",
number = "5",
pages = "983--993",
month = may,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170513",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Suhai:1980:ESC,
author = "S{\'a}ndor Suhai and Johannes Kaspar and J{\'a}nos
Ladik",
title = "Effect of side-chain disorder on the electronic
structure of proteins",
journal = j-IJQC,
volume = "17",
number = "5",
pages = "995--1006",
month = may,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170514",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Romano:1980:MCS,
author = "Silvano Romano and Enrico Clementi",
title = "{Monte Carlo} simulation of water solvent with
biomolecules: {Serine} and the corresponding
zwitterion",
journal = j-IJQC,
volume = "17",
number = "5",
pages = "1007--1029",
month = may,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170515",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Osanai:1980:IIA,
author = "You Osanai and Hiroshi Kashiwagi",
title = "Improvement of an integral approximation scheme based
on semiorthogonalized orbitals",
journal = j-IJQC,
volume = "17",
number = "5",
pages = "1031--1037",
month = may,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170516",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Reid:1980:ZQO,
author = "Charles E. Reid",
title = "Zeroes of the quartic oscillator eigenfunctions",
journal = j-IJQC,
volume = "17",
number = "5",
pages = "1039--1041",
month = may,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170517",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1980:AMC,
author = "Anonymous",
title = "Atomic and molecular collision theory",
journal = j-IJQC,
volume = "17",
number = "5",
pages = "1042--1042",
month = may,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170518",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1980:Me,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "17",
number = "5",
pages = "fmi--fmii",
month = may,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170501",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:33 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ducla-Soares:1980:BEM,
author = "Eduardo Ducla-Soares",
title = "Biological effects of magnetic fields and cooperative
phenomena",
journal = j-IJQC,
volume = "17",
number = "6",
pages = "1043--1046",
month = jun,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170602",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Constanciel:1980:PDA,
author = "R. Constanciel and H. Gritli",
title = "Pair density analysis of semiempirical wave functions:
{Study} of water molecule including environmental
effects",
journal = j-IJQC,
volume = "17",
number = "6",
pages = "1047--1068",
month = jun,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170603",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Szczesniak:1980:NSI,
author = "Ma{\l}gorzata M. Szcz{\k{e}}{\'s}niak and Henryk
Ratajczak",
title = "Nonadditivity of the {SCF} interaction energy in the
{(LiH)$_3$} complex",
journal = j-IJQC,
volume = "17",
number = "6",
pages = "1069--1074",
month = jun,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170604",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Spangler:1980:ICL,
author = "Dale Spangler and Ralph E. Christoffersen",
title = "Ab initio calculations on large molecules using
molecular fragments. {Generalization} of the molecular
fragment basis at the minimum basis set level",
journal = j-IJQC,
volume = "17",
number = "6",
pages = "1075--1097",
month = jun,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170605",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{TenHoor:1980:GEH,
author = "Marten J. {Ten Hoor}",
title = "{Gaussian} expansions of hydrogenic functions
involving few variational parameters",
journal = j-IJQC,
volume = "17",
number = "6",
pages = "1099--1109",
month = jun,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170606",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Noack:1980:NMAa,
author = "Wolf-Eckart Noack",
title = "New method for approximate {Hartree--Fock}
calculations using density approximations and {Coulomb}
field corrections. {I}",
journal = j-IJQC,
volume = "17",
number = "6",
pages = "1111--1123",
month = jun,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170607",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Noack:1980:NMAb,
author = "Wolf-Eckart Noack",
title = "New method for approximate {Hartree--Fock}
calculations using density approximations and {Coulomb}
field corrections. {II}",
journal = j-IJQC,
volume = "17",
number = "6",
pages = "1125--1141",
month = jun,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170608",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Morgan:1980:BMP,
author = "John D. {Morgan III} and Barry Simon",
title = "Behavior of molecular potential energy curves for
large nuclear separations",
journal = j-IJQC,
volume = "17",
number = "6",
pages = "1143--1166",
month = jun,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170609",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tomasek:1980:PSE,
author = "Mojm{\'\i}r Tom{\'a}{\v{s}}ek and
{\v{S}}t{\v{e}}p{\'a}n Pick",
title = "Projected surface energy bands, {Shockley} surface
states, and bonding in transition-metal monocompounds
with rock-salt structure: {Example} of {NbC}",
journal = j-IJQC,
volume = "17",
number = "6",
pages = "1167--1177",
month = jun,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170610",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ganas:1980:OOS,
author = "P. S. Ganas",
title = "Optical oscillator strengths for lithium",
journal = j-IJQC,
volume = "17",
number = "6",
pages = "1179--1184",
month = jun,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170611",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Carbo:1980:HSM,
author = "Ramon Carb{\'o} and Luis Leyda and Mariano Arnau",
title = "How similar is a molecule to another? {An} electron
density measure of similarity between two molecular
structures",
journal = j-IJQC,
volume = "17",
number = "6",
pages = "1185--1189",
month = jun,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170612",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ibantez-Mengual:1980:QMT,
author = "J. A. Ib{\'a}{\~n}tez-Mengual and A. F.
Tejerina-Garc{\'\i}a",
title = "Quantum model for transport through membranes",
journal = j-IJQC,
volume = "17",
number = "6",
pages = "1191--1200",
month = jun,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170613",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Moiseyev:1980:CAR,
author = "Nimrod Moiseyev and Frank Weinhold",
title = "Criteria of accuracy of resonance eigenvalues",
journal = j-IJQC,
volume = "17",
number = "6",
pages = "1201--1211",
month = jun,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170614",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bregadze:1980:NDI,
author = "V. G. Bregadze",
title = "Nature of {DNA} interactions with cations: {UV
Spectroscopic} investigations and {Marcus} theory",
journal = j-IJQC,
volume = "17",
number = "6",
pages = "1213--1219",
month = jun,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170615",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kuropteva:1980:EIM,
author = "Z. V. Kuropteva and M. K. Pulatova and M. A.
Smotryaeva and K. E. Kruglyakova",
title = "Electronic interactions of {N}-methyl-{N}-nitrosourea
with {DNA} and its chemical modifications",
journal = j-IJQC,
volume = "17",
number = "6",
pages = "1221--1227",
month = jun,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170616",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kryachko:1980:NEF,
author = "Eugene S. Kryachko and Yuri A. Kruglyak and Bryan J.
Dalton",
title = "Nonrigidity effects of fragments of membrane-active
complexons",
journal = j-IJQC,
volume = "17",
number = "6",
pages = "1229--1235",
month = jun,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170617",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sannigrahi:1980:SVE,
author = "A. B. Sannigrahi and B. R. De",
title = "Selected valence electron split-shell {MO}
calculations on {Cu$_2$}, {Ag$_2$}, and {Au$_2$}",
journal = j-IJQC,
volume = "17",
number = "6",
pages = "1237--1239",
month = jun,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170618",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sen:1980:ARI,
author = "K. D. Sen",
title = "Approximate relationship for isoelectronic changes in
atomic average electron density",
journal = j-IJQC,
volume = "17",
number = "6",
pages = "1241--1242",
month = jun,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170619",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1980:Mf,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "17",
number = "6",
pages = "fmi--fmii",
month = jun,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560170601",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1980:P,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "1--1",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180102",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kutzelnigg:1980:NDP,
author = "Werner Kutzelnigg",
title = "New derivation and a $k$-particle generalization of
{SCF}-type theories",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "3--9",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180103",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pucci:1980:TMD,
author = "Renato Pucci and Marcello Baldo and Antonio Grassi and
Pasquale Tomasello",
title = "Toward a microscopic description of molecular
electronic systems",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "11--18",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180104",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mestechkin:1980:OSR,
author = "M. M. Mestechkin",
title = "Open-shell restricted {Hartree--Fock} density matrix
direct calculations",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "19--23",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180105",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Katsuki:1980:MPX,
author = "Shinichi Katsuki and Hiroshi Taketa",
title = "Model potential {X$\alpha$} method for the electronic
structure calculations",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "25--29",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180106",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ogawa:1980:NSC,
author = "Tohru Ogawa",
title = "New self-consistent theory of atoms: {Toward} a
unified theory of atoms and atomic aggregates",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "31--35",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180107",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hiroike:1980:MVO,
author = "Eiko Hiroike",
title = "Modified virtual orbitals of {Hartree--Fock} method in
calculation of second-order perturbation energy",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "37--42",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180108",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chang:1980:PSC,
author = "Tse-Chiang Chang",
title = "Perturbation and {SCF} calculations for excited
states",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "43--48",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180109",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chambaud:1980:PCT,
author = "G. Chambaud and B. Levy and Ph. Milli{\'e}",
title = "Perturbation calculation of transition moments in the
{ArH$^+$} system",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "49--55",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180110",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Au-Chin:1980:CID,
author = "Tang Au-Chin and Sun Chia-Chung",
title = "Conservation of intrinsic dual and single symmetries
of molecular orbitals",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "57--63",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180111",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Roszak:1980:FLM,
author = "Szczepan Roszak and Henryk Chojnacki",
title = "Formulation of the {LCAS MS SCF} method within the
{Gaussian} basis set",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "65--71",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180112",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Uehara:1980:VIP,
author = "Hiroshi Uehara and Takuma Itagaki",
title = "Vertical ionization potential in hydrogen molecule
with many-body {Green}'s function method",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "73--78",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180113",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lee:1980:CBS,
author = "Tieh-Sheng Lee and San-Yan Chu",
title = "Comparison between the symmetry-correlation
examination and the perturbation method",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "79--87",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180114",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lumbroso:1980:IMO,
author = "Henri Lumbroso and Giuseppe Concetto Pappalardo",
title = "Ab initio molecular orbital study of the
hydrogen-bonded pyrrole $\cdot$ acetonitrile complex",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "89--99",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180115",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Yamaguchi:1980:IUH,
author = "Kizashi Yamaguchi",
title = "Ab initio unrestricted {Hartree--Fock} ({UHF}) and
{UHF}-natural orbital {CI} studies of ozone",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "101--106",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180116",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rodwell:1980:ISS,
author = "William R. Rodwell and Willem J. Bouma and Leo
Radom",
title = "Ab initio studies of 1,3-sigmatropic rearrangements:
{Effect} of basis set and electron correlation",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "107--116",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180117",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gayoso:1980:RCS,
author = "J. Gayoso and B. Maouche and O. Ouamerali and A.
Baba-Ahmed",
title = "``Ring currents'' static hypersusceptibilities",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "117--124",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180118",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hartmann:1980:SOC,
author = "Hermann Hartmann and Dieter Schuch",
title = "Spin--orbit coupling for the motion of a particle in a
ring-shaped potential",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "125--141",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180119",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Nomura:1980:PES,
author = "Okio Nomura",
title = "Potential-energy surfaces of low-lying states of
{HNO}",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "143--150",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180120",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Morita:1980:ILM,
author = "Keiko Morita and Hiroshi Sato and Eiichi Ishiguro",
title = "Ab initio {LCAO MO SCF} calculation of potential
surface of the {NO$_2$} molecule",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "151--156",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180121",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tsuda:1980:PES,
author = "Minoru Tsuda and Setsuko Oikawa and Katsuhiko
Kimura",
title = "Potential-energy surfaces in the lower excited states
of benzene $\rightleftharpoons$ {Dewar}--benzene
isomerization process",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "157--164",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180122",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sokalski:1980:BSS,
author = "W. A. Sokalski and P. C. Hariharan and Joyce J.
Kaufman and Carlo Petrongolo",
title = "Basis set superposition effect on difference
electrostatic molecular potential contour maps",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "165--171",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180123",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sokalski:1980:MCN,
author = "W. A. Sokalski and P. C. Hariharan and Herbert E.
Popkie and Joyce J. Kaufman and Carlo Petrongolo",
title = "Molecular calculations with the nonempirical ab initio
{MODPOT}, {VRDDO}, and {MODPOT \slash VRDDO}
procedures. {XI}. {Theoretical} study of the
{[C$_6$H$_5$OH$\cdot$OC$_6$H$_5$]}$^-$ molecular
complex: {Ab} initio {MODPOT \slash VRDDO} calculations
and electrostatic molecular potential contour maps",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "173--184",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180124",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gondo:1980:NSA,
author = "Yasuhiko Gondo and Yoshiya Kanda",
title = "Novel sign-alternation rule for the triplet state in
aromatic systems",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "185--188",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180125",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sokalski:1980:EAS,
author = "W. A. Sokalski and P. C. Hariharan and Herbert E.
Popkie and Joyce J. Kaufman",
title = "Explanation of the artifact structure predictions
within the semiempirical {ZDO SCF} supermolecular
approach",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "189--191",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180126",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Boucekkine:1980:CCD,
author = "A. Boucekkine",
title = "{CNDO} calculation of the diamagnetic susceptibilities
of cyclic conjugated molecules",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "193--197",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180127",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chen:1980:CMC,
author = "Cheng Chen",
title = "{CNDO--MO} calculation of {N$_n$F$_m$} molecules",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "199--204",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180128",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Shibuya:1980:PEM,
author = "Tai-Ichi Shibuya and Tadashi Funada",
title = "Parametrization of the equations-of-motion method for
conjugated hydrocarbons",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "205--209",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180129",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Okido:1980:TBP,
author = "Sadao Okido and Osamu Tanimoto",
title = "Theory of the {Bose} particle representation for
geminals",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "211--217",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180130",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Steinborn:1980:EMI,
author = "E. Otto Steinborn and Eckhard Filter",
title = "Evaluation of multicenter integrals over {Slater}-type
atomic orbitals by expansion in terms of complete
sets",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "219--226",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180131",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sasaki:1980:CXS,
author = "Teikichi Sasaki and Hirohiko Adachi",
title = "Calculations of {XPS} spectra for oxyanions and
related compounds by the discrete
variational-{X$\alpha$} method",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "227--235",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180132",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Palma:1980:EPI,
author = "A. Palma and E. Gonz{\'a}lez and O. Goscinski",
title = "{ESCA} peak intensities for small molecules in the
sudden approximation",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "237--241",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180133",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Yamabe:1980:TSP,
author = "Shinichi Yamabe and Tsutomu Minato and Yoshihiro
Osamura",
title = "Theoretical study of photochemical reactions:
{Electron} assignment and the state correlation
diagram",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "243--250",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180134",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fujikawa:1980:PCS,
author = "Takashi Fujikawa and Haruo Kuroda",
title = "Photoionization cross section calculated by dynamical
theory",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "251--256",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180135",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hirayama:1980:TEV,
author = "Satoshi Hirayama",
title = "Temperature effect on the vapor-phase exciplexes of
cyano-substituted anthracenes",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "257--261",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180136",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Christov:1980:CTBa,
author = "S. G. Christov",
title = "Collision theory of bimolecular and unimolecular
reactions and its experimental test",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "263--273",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180137",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Suzuki:1980:BED,
author = "I. H. Suzuki and C. E. Brion and E. Weigold and G. R.
J. Williams",
title = "Binding energies at different momenta for the valence
orbitals of {HCl} by the binary (e, 2 e) method",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "275--280",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180138",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Shibata:1980:EDW,
author = "S. Shibata and F. Hirota and N. Kakuta and T.
Muramatsu",
title = "Electron distribution in water by high-energy electron
scattering",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "281--285",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180139",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kato:1980:LIF,
author = "Hajime Kat{\^o}",
title = "Laser-induced fluorescence of {Cs$_2$} and role of
kinetic energy in the {Franck--Condon} principle",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "287--291",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180140",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kono:1980:FCE,
author = "H. K{\^o}no and Y. Fujimura and T. Nakajima",
title = "Field correlation effects on the resonant light
scattering",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "293--300",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180141",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Uchida:1980:EME,
author = "Kenji Uchida and Yoshihiro Takahashi",
title = "Excimer and monomer emission of pyrene crystals
associated with the phase transition",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "301--305",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180142",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chu:1980:CBI,
author = "San-Yan Chu and Shyi-Long Lee",
title = "Comparison between intervalence charge transfer and
molecular tautomerism",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "307--310",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180143",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{VanCamp:1980:VSM,
author = "P. E. {Van Camp} and V. E. {Van Doren} and J. T.
Devreese",
title = "Vibrational spectra of molecules in the
{Hartree--Fock} dielectric screening approach",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "311--315",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180144",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Devreese:1980:MEM,
author = "J. T. Devreese and P. E. {Van Camp} and V. E. {Van
Doren}",
title = "Moment expansion method to calculate vibrational
frequencies of molecules and solids",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "317--321",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180145",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Shibata:1980:NMV,
author = "Masayuki Shibata and Theresa Julia Zielinski and
Robert Rein",
title = "Normal-mode vibrational frequencies and thermodynamic
properties of uracil and 4-hydroxyuracil",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "323--329",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180146",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Yuan-Sun:1980:CDAa,
author = "Kiang Yuan-Sun",
title = "Calculation of the determinant of the adjacency matrix
and the stability of conjugated molecules",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "331--338",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180147",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mladenov:1980:MCC,
author = "Ivailo M. Mladenov and Marin D. Kotarov and Julia G.
Vassileva-Popova",
title = "Method for computing the characteristic polynomial",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "339--341",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180148",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1980:Mg,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "18",
number = "1",
pages = "fmi--fmii",
month = jul,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180101",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sabin:1980:EN,
author = "John R. Sabin",
title = "Editorial note",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "345--345",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180202",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lohr:1980:RPE,
author = "L. L. {Lohr, Jr.} and M. Hotokka and P. Pyykk{\"o}",
title = "Relativistically parametrized {extended-H{\"u}ckel}
calculations. {II}. {Orbital} energies of group-{IV}
tetrahalides and tetramethyls",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "347--355",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180203",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Shinagawa:1980:ISS,
author = "Yoshiya Shinagawa and Yasuko Shinagawa and Nobuhiro
Uyesaka and Kohji Fukuda",
title = "{INDO} {Studies} on the structure of benzosemiquinone
radicals",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "357--363",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180204",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Spanget-Larsen:1980:AHC,
author = "Jens Spanget-Larsen",
title = "Assignment of the hyperfine constants of the
1,2-benzosemiquinone radical anion: {Comment} on ``
{INDO} studies on the structure of benzosemiquinone
radicals''",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "365--367",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180205",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mekenyan:1980:CGT,
author = "O. Mekenyan and D. Bonchev and N. Trinajsti{\'c}",
title = "Chemical graph theory: {Modeling} the thermodynamic
properties of molecules",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "369--380",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180206",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sinanoglu:1980:STP,
author = "Oktay Sinano{\u{g}}lu",
title = "The solvophobic theory for the prediction of molecular
conformations and biopolymer bindings in solutions with
recent direct experimental tests",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "381--392",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180207",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Osamura:1980:QQC,
author = "Y. Osamura and S. Yamabe and F. Hirota and H. Hosoya
and S. Iwata and H. Kashiwagi and K. Morokuma and
M. Togasi and S. Obara and K. Tanaka and K. Ohno",
title = "{QCLDB} {---Quantum} chemistry literature data
base---a trial",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "393--396",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180208",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Thuraisingham:1980:SMO,
author = "R. A. Thuraisingham and S. H. M. Nilar",
title = "Semiempirical molecular orbital calculations on $\pi$
electron systems",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "397--401",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180209",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kai:1980:EST,
author = "Eiko Kai and Kichisuke Nishimoto",
title = "Electronic structure of transition-metal complexes.
{I}. {Parametrization} for {CNDO/2} method",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "403--408",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180210",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fischer-Hjalmars:1980:MBE,
author = "I. Fischer-Hjalmars and A. Henriksson-Enflo",
title = "Metal bridge effect: {V}. {Quantum} chemical studies
of some metal chelates",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "409--419",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180211",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Langlet:1980:PWI,
author = "J. Langlet and C. Giessner-Prettre and B. Pullman and
P. Claverie and D. Piazzola",
title = "Purine--water interactions in base stacking",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "421--437",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180212",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gumbinger:1980:SCM,
author = "H. G. Gumbinger and P. M. Kaiser",
title = "{SCF CI MO} calculations on the base--base
interactions in dinucleoside monophosphates",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "439--448",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180213",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Teitell:1980:MSF,
author = "Murray F. Teitell and J. Lawrence Fox",
title = "{MO} {Study} of flavin--protein interactions in
flavodoxin catalysis",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "449--456",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180214",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Osamura:1980:MSP,
author = "Yoshihiro Osamura and Shinichi Yamabe and Kichisuke
Nishimoto",
title = "{MO} {Study} of the photochemical behavior of the
imine bond",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "457--462",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180215",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tanaka:1980:MSP,
author = "H. Tanaka and T. Matsushita and Y. Osamura and K.
Nishimoto",
title = "{MO} {Study} on the photochemical isomerization of
isoxazole",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "463--468",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180216",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Boudreaux:1980:QMC,
author = "E. A. Boudreaux and T. P. Carsey",
title = "Quasirelativistic {MO} calculations on platinum
complexes (anticancer drugs) and their interaction with
{DNA}",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "469--479",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180217",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Loew:1980:COS,
author = "Gilda H. Loew and Zelek S. Herman and Michael C.
Zerner",
title = "Calculated optical spectrum of model oxyheme complex",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "481--492",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180218",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Spingarn:1980:MBI,
author = "Neil E. Spingarn and Alan C. Sartorelli",
title = "Mechanism of binding of iron to potential therapeutic
chelating agents",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "493--500",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180219",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Grigoras:1980:HHE,
author = "S. Grigoras and I. Rusu and E. Pausescu and A. Medesan
and S. Moldoveanu",
title = "Hydrophile--hydrophobe equilibrium of some
prostaglandins --- {CNDO\slash SW} study",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "501--508",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180220",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Nagamura:1980:WIP,
author = "Toshihiko Nagamura and Takashi Takayanagi and Taku
Matsuo",
title = "Weak interactions at the photoexcited states of
partially oriented aromatic chromophores in man-made
bilayer membranes",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "509--513",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180221",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ikuta:1980:DEP,
author = "Shigeru Ikuta and Shuichi Hashimoto and Masashi
Imamura",
title = "$\beta^-$-{Decay} effect on the proton movement in the
pyridine--pyrrole hydrogen-bonded system",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "515--519",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180222",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Shinagawa:1980:RAE,
author = "Yasuko Shinagawa and Yoshiya Shinagawa",
title = "Regression analysis of enzyme reaction.
{O}-methylation of catechol derivatives by
catechol-{O}-methyltransferase",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "521--526",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180223",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Komiyama:1980:SEC,
author = "Tomoko Komiyama and Makoto Miwa",
title = "Solvent effects on {CD} and {MCD} spectra of
phenylalanine and its related compounds",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "527--531",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180224",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hirokawa:1980:IAN,
author = "Shoji Hirokawa",
title = "Infrared absorption of nonpolar molecules in rattling
motion",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "533--537",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180225",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Yoshikawa:1980:PPS,
author = "Kenichi Yoshikawa and Noriyuki Kumazawa and Hiroshi
Terada and Kazuo Akagi",
title = "Physicochemical properties of {SF} 6847, a potent
uncoupler of oxidative phosphorylation in mitochondria
in relation to its activity",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "539--544",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180226",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Au-Chin:1980:ALA,
author = "Tang Au-Chin and Sun Chia-Chung and Li Bei-Foo",
title = "Application of lie algebra to ligand-field theory",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "545--555",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180227",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Au-Chin:1980:CCO,
author = "Tang Au-Chin and Cho Ching-Yu and Sun Chia-Chung",
title = "{$V$}-coupling coefficients from {${\rm SO}(3)$} to
the octahedral group",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "557--573",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180228",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{DeHosson:1980:ESN,
author = "J. Th. M. {De Hosson}",
title = "Electronic states near dislocations in transition
metals: {An} application of quantum chemistry in
technology",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "575--582",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180229",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Petelenz:1980:BEI,
author = "Piotr Petelenz and Vedene H. {Smith, Jr.}",
title = "Binding energies of ionized donor--exciton complexes
in polar crystals",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "583--586",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180230",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Maruyama:1980:FST,
author = "Yusei Maruyama and Keiko Takamiya-Ichikawa",
title = "Fluorescence spectra and their temperature dependence
of amorphous anthracene films doped with naphthacene",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "587--593",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180231",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Garcia-Prieto:1980:NEM,
author = "J. Garc{\'\i}a-Prieto and O. Novaro",
title = "Nonadditive effects in metal clusters and
chemisorption. {Pseudopotential} study of palladium
clusters",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "595--600",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180232",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ruo-Zhuang:1980:LMT,
author = "Liu Ruo-Zhuang and Feng Wen-Lin",
title = "{LCAO--MO} treatment for deep levels produced by ion
implantation of oxygen in gallium arsenide",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "601--605",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180233",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Calais:1980:LD,
author = "Jean-Louis Calais",
title = "On the localization of defects",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "607--613",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180234",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{VanDoren:1980:MTA,
author = "V. E. {Van Doren} and P. E. {Van Camp} and J. T.
Devreese",
title = "Microscopic theory of the average band gap of
semiconductors",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "615--618",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180235",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kojima:1980:ETT,
author = "N. Kojima and T. Ban and I. Tsujikawa",
title = "Exciton transfer in the two-dimensional
antiferromagnet {(C$_2$H$_5$NH$_3$)$_2$MnCl$_4$}",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "619--623",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180236",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Morita:1980:LEL,
author = "Makoto Morita and Yoshiaki Kato",
title = "{N}$_2$ {Laser}-excited luminescence of
antiferromagnetically coupled trinuclear
{chromium(III)} complexes",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "625--631",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180237",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Satoh:1980:LRE,
author = "Mitsuo Satoh and Toshihiko Taki",
title = "Lattice relaxation and electric-field-gradient
calculations in impurity-doped single ionic crystals",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "633--640",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180238",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Nose:1980:RTM,
author = "Shuichi Nos{\'e} and Yoshiaki Ozaki and Kazuo Maki and
Yosuke Kataoka",
title = "Rotational tunneling of methane on the surface of
graphite",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "641--644",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180239",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kertesz:1980:NDE,
author = "M. Kert{\'e}sz and J. Koller and A. A{\v{z}}man",
title = "Nuclear distortion of the equidistant arrangement in
{\em trans\/}-polyacetylene, {(CH)$_x$}",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "645--650",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180240",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Brower:1980:IMO,
author = "A. L. Brower and J. R. Sabin and B. Crist and M. A.
Ratner",
title = "Ab initio molecular orbital studies of polyethylene
deformation",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "651--654",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180241",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mitani:1980:SRS,
author = "T. Mitani and S. Suga and Y. Tokura and K. Koyama and
I. Nakada and T. Koda",
title = "Synchrotron radiation spectroscopy of
quasi-one-dimensional materials",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "655--659",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180242",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1980:Mh,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "18",
number = "2",
pages = "fmi--fmii",
month = aug,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180201",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:34 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pakiari:1980:SDO,
author = "A. H. Pakiari and J. W. Linnett",
title = "Single-determinantal open- and closed-shell {FSGO}
calculations for some diatomic molecules",
journal = j-IJQC,
volume = "18",
number = "3",
pages = "661--673",
month = sep,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180302",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Odiot:1980:DMD,
author = "J. Bridet Et S. Odiot and S. Fliszar",
title = "Dynamique mol{\'e}culaire du cristal ammoniac.
{Calcul} ab initio {SCF} de l'{\'e}nergie electronique.
({French}) [Molecular dynamics of the ammonium crystal.
{SCF} ab initio calculation of the electronic energy]",
journal = j-IJQC,
volume = "18",
number = "3",
pages = "675--688",
month = sep,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180303",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
language = "French",
onlinedate = "19 Oct 2004",
}
@Article{Jolly:1980:VFP,
author = "P. Jolly and R. P. Saxena and P. K. Srivastava and K.
V. Sane",
title = "Variational functions of the {Pad{\'e}}
type---application to the ground state of the helium
atom",
journal = j-IJQC,
volume = "18",
number = "3",
pages = "689--694",
month = sep,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180304",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Niukkanen:1980:GME,
author = "A. W. Niukkanen",
title = "{Gaussian} matrix elements of the operator {X}:
{Reduction} to confluent hypergeometric functions",
journal = j-IJQC,
volume = "18",
number = "3",
pages = "695--708",
month = sep,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180305",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jones:1980:CGF,
author = "Herbert W. Jones",
title = "Computer-generated formulas for overlap integrals of
{Slater}-type orbitals",
journal = j-IJQC,
volume = "18",
number = "3",
pages = "709--713",
month = sep,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180306",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Poirier:1980:UQGa,
author = "R. A. Poirier and R. Daudel and P. G. Mezey and I. G.
Csizmadia",
title = "Uniform quality {Gaussian} basis sets for molecular
calculations, {I}. {C$_1$} hydrocarbons",
journal = j-IJQC,
volume = "18",
number = "3",
pages = "715--725",
month = sep,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180307",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Poirier:1980:UQGb,
author = "R. A. Poirier and R. Daudel and I. G. Csizmadia",
title = "Uniform quality {Gaussian} basis sets for molecular
calculations. {II}. {C$_2$} hydrocarbons",
journal = j-IJQC,
volume = "18",
number = "3",
pages = "727--733",
month = sep,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180308",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fieck:1980:OTP,
author = "Gerhard Fieck and Joachim Wirsich",
title = "One- and two-particle fractional parentage for
arbitrary point groups, configurations, and coupling
schemes",
journal = j-IJQC,
volume = "18",
number = "3",
pages = "735--752",
month = sep,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180309",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fieck:1980:EIA,
author = "Gerhard Fieck and Joachim Wirsich",
title = "Electrostatic interaction for arbitrary point groups,
configurations, and coupling schemes",
journal = j-IJQC,
volume = "18",
number = "3",
pages = "753--773",
month = sep,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180310",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bruggemann:1980:LBH,
author = "R. Br{\"u}ggemann and J. Voitl{\"a}nder",
title = "Local behavior of h{\"u}ckel parameters",
journal = j-IJQC,
volume = "18",
number = "3",
pages = "775--782",
month = sep,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180311",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mayer:1980:EDS,
author = "I. Mayer and S. A. Angelov",
title = "{EHF} {Description} of superexchange: {Relations} to
{Anderson}'s model",
journal = j-IJQC,
volume = "18",
number = "3",
pages = "783--796",
month = sep,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180312",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Defina:1980:EMS,
author = "J. A. Defina and P. R. Andrews",
title = "Evaluation of {MINDO} \slash 3 calculations in simple
amides, ureas, and heterocycles of biological
interest",
journal = j-IJQC,
volume = "18",
number = "3",
pages = "797--810",
month = sep,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180313",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Schweitz:1980:HTO,
author = "Jan-{\AA}ke Schweitz",
title = "Hypevirial theorem for open dynamical assemblies in
the density matrix representation",
journal = j-IJQC,
volume = "18",
number = "3",
pages = "811--817",
month = sep,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180314",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Shukla:1980:MPS,
author = "G. C. Shukla and M. R. Issa and M. S. Narayan",
title = "Multipole polarizabilities and shielding factors of
the hydrogen atom from the hydrodynamic analogy to
quantum mechanics. {III}",
journal = j-IJQC,
volume = "18",
number = "3",
pages = "819--825",
month = sep,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180315",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Srivastava:1980:ESN,
author = "S. K. Srivastava and P. C. Mishra",
title = "Electronic spectra of nucleic acid bases: {Variable}
electronegativity calculations and an analysis of
existing results",
journal = j-IJQC,
volume = "18",
number = "3",
pages = "827--840",
month = sep,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180316",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Wormer:1980:CIM,
author = "P. E. S. Wormer and J. Paldus",
title = "Configuration interaction matrix elements. {III}.
{Spin} functions relating the unitary and symmetric
group approaches",
journal = j-IJQC,
volume = "18",
number = "3",
pages = "841--866",
month = sep,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180317",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Silverman:1980:VCP,
author = "Jeremiah N. Silverman",
title = "Variational constraints on perturbed eigenvalues and
their perturbation expansions. {II}. {Perturbational}
inequalities",
journal = j-IJQC,
volume = "18",
number = "3",
pages = "867--890",
month = sep,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180318",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kothekar:1980:RCI,
author = "V. Kothekar and S. Dutta",
title = "Role of {CA$^{2+}$} ion in the abortifacient action of
prostaglandins. {II}. {Molecular} orbital and
conformation energy calculations of {PGA$_1$}",
journal = j-IJQC,
volume = "18",
number = "3",
pages = "891--904",
month = sep,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180319",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Wilson:1980:FOI,
author = "Stephen Wilson",
title = "Fourth-order invariant in {Rayleigh--Schr{\"o}dinger}
perturbation theory",
journal = j-IJQC,
volume = "18",
number = "3",
pages = "905--906",
month = sep,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180320",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sen:1980:EES,
author = "K. D. Sen",
title = "Energy-eigenvalue sum relationship in molecules",
journal = j-IJQC,
volume = "18",
number = "3",
pages = "907--909",
month = sep,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180321",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Aagren:1980:BRB,
author = "Hans {\AA}gren",
title = "Book Review: {{\booktitle{Atomic energy levels}}.
Serafin Fraga, K. M. S. Saxena, and Jacek Karmowski.
Elsevier Scientific Publishing Company, Amsterdam,
1979}",
journal = j-IJQC,
volume = "18",
number = "3",
pages = "911--911",
month = sep,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180322",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Fraga:1979:AEL}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dunne:1980:BRB,
author = "Lawrence J. Dunne",
title = "Book Review: {{\booktitle{High pressure chemistry}}.
Edited by H. Kelm. NATO Advanced Study Institute
Series, D. Reidel Publishing Company, Dordrccht.
Holland, 1979}",
journal = j-IJQC,
volume = "18",
number = "3",
pages = "911--911",
month = sep,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180323",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Kelm:1978:HPC}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1980:Mi,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "18",
number = "3",
pages = "fmi--fmii",
month = sep,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180301",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Blagoy:1980:ESE,
author = "Y. U. P. Blagoy and G. G. Sheina and A. V. Luzanov and
L. K. Silina and V. F. Pedash and Y. U. V. Rubin and
E. A. Leibina",
title = "Effect of substituents on electron energy
redistribution in uracil derivatives and their
ionization in polar solvents",
journal = j-IJQC,
volume = "18",
number = "4",
pages = "913--919",
month = oct,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180402",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Warner:1980:ECH,
author = "J. W. Warner and L. S. Bartell and S. M. Blinder",
title = "Electron correlation and {Hund}'s rule",
journal = j-IJQC,
volume = "18",
number = "4",
pages = "921--935",
month = oct,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180403",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Morton-Blake:1980:ESL,
author = "D. A. Morton-Blake",
title = "Effect of symmetry lowering on the band structure of
polyacetylene",
journal = j-IJQC,
volume = "18",
number = "4",
pages = "937--951",
month = oct,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180404",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Avery:1980:TIDa,
author = "John Avery and Per-Johan {\O}rmen",
title = "Transferable integrals in a deformation density
approach to crystal orbital calculations. {IV}.
{Evaluation} of angular integrals by a vector-pairing
method",
journal = j-IJQC,
volume = "18",
number = "4",
pages = "953--971",
month = oct,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180405",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Boerth:1980:HOM,
author = "Donald W. Boerth and F. A. Van-Catledge",
title = "Hydrogenic orbitals as minimum-basis functions for
{SCF} calculations",
journal = j-IJQC,
volume = "18",
number = "4",
pages = "973--993",
month = oct,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180406",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Datta:1980:SCC,
author = "Dilip Kumar Datta and Sankar Sengupta",
title = "Self-consistent calculation of $1s 2s$ {$^1$S} state
wave function of helium",
journal = j-IJQC,
volume = "18",
number = "4",
pages = "995--1003",
month = oct,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180407",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Randic:1980:GTA,
author = "Milan Randi{\'c} and Charles L. Wilkins",
title = "Graph-theoretical analysis of molecular properties.
{Isomeric} variations in nonanes",
journal = j-IJQC,
volume = "18",
number = "4",
pages = "1005--1027",
month = oct,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180408",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kryachko:1980:HKT,
author = "Eugene S. Kryachko",
title = "{Hohenberg--Kohn} theorem",
journal = j-IJQC,
volume = "18",
number = "4",
pages = "1029--1035",
month = oct,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180409",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Flurry:1980:PSA,
author = "R. L. {Flurry, Jr.} and T. H. {Siddall III}",
title = "Permutational--symmetry-adapted powers of
representations of the point groups deduced from the
unitary group",
journal = j-IJQC,
volume = "18",
number = "4",
pages = "1037--1044",
month = oct,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180410",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mukherjee:1980:SEM,
author = "Nirad Gopal Mukherjee and Pratip Ray",
title = "Simplification of an earlier {MCSCF} procedure for
{CI} expansions involving orbital excitations",
journal = j-IJQC,
volume = "18",
number = "4",
pages = "1045--1047",
month = oct,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180411",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Katriel:1980:SVS,
author = "J. Katriel and E. R. Davidson",
title = "Shellwise virial scaling: {Approximation} for atomic
hole states",
journal = j-IJQC,
volume = "18",
number = "4",
pages = "1049--1055",
month = oct,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180412",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dugay:1980:TVS,
author = "M. Dugay and J. Roustan",
title = "Toward a very simple picture of disorder effects in
one-dimensional organic conductors",
journal = j-IJQC,
volume = "18",
number = "4",
pages = "1057--1069",
month = oct,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180413",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chalasinaski:1980:DSA,
author = "Grezegorz Cha{\l}asi{\'n}aski and Krzysztof
Szalewicz",
title = "Degenerate symmetry-adapted perturbation theory.
{Convergence} properties of perturbation expansions for
excited states of {H$_2^+$} ion",
journal = j-IJQC,
volume = "18",
number = "4",
pages = "1071--1089",
month = oct,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180414",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Case:1980:SEA,
author = "David A. Case and Cary Y. Yang",
title = "Stable and efficient algorithms for {X$\alpha$}
multiple scattering calculations",
journal = j-IJQC,
volume = "18",
number = "4",
publisher = pub-REIDEL,
address = pub-REIDEL:adr,
pages = "1091--1099",
month = oct,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180415",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Aiken:1980:LO,
author = "John G. Aiken and John A. Erdos and Jerome A.
Goldstein",
title = "On {L{\"o}wdin} orthogonalization",
journal = j-IJQC,
volume = "18",
number = "4",
pages = "1101--1108",
month = oct,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180416",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Weiner:1980:SCA,
author = "Brian Weiner and Osvaldo Goscinski",
title = "Self-consistent approximation to the polarization
propagator",
journal = j-IJQC,
volume = "18",
number = "4",
pages = "1109--1131",
month = oct,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180417",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1980:Mj,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "18",
number = "4",
pages = "fmi--fmii",
month = oct,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180401",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mohammad:1980:HAWb,
author = "S. Noor Mohammad",
title = "High accuracy wave functions and eigenenergies for the
vibration--rotation states of diatomic molecules by
factorization method",
journal = j-IJQC,
volume = "18",
number = "5",
pages = "1133--1142",
month = nov,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180502",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Otto:1980:CCT,
author = "P. Otto and J. Ladik",
title = "Concept of charge transfer: {Investigation} of charge
transfer in the glyoxal--formamide, water dimer, and
water--lithium cation systems",
journal = j-IJQC,
volume = "18",
number = "5",
pages = "1143--1155",
month = nov,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180503",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Takada:1980:ITA,
author = "Toshikazu Takada and Fukashi Sasaki",
title = "Improved transformation algorithm of two-electron
integrals from atomic orbital basis to a symmetry
orbital basis",
journal = j-IJQC,
volume = "18",
number = "5",
pages = "1157--1163",
month = nov,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180504",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pavato:1980:MSM,
author = "A. C. Pav{\~a}to and M. Braga and A. Fazzio and J. R.
Leite",
title = "Multiple scattering mass operator method for molecular
orbital calculations",
journal = j-IJQC,
volume = "18",
number = "5",
pages = "1165--1173",
month = nov,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180505",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Facell:1980:IHO,
author = "J. C. Facell and R. H. Contreras",
title = "Inclusion of hydrogen $p$ orbitals in the
semiempirical calculation of {NMR} parameters. {I}.
{Influence} on the {FPT INDO} spin--spin coupling
constants",
journal = j-IJQC,
volume = "18",
number = "5",
pages = "1175--1185",
month = nov,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180506",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Wolf:1980:NCD,
author = "Andreas Wolf and Hans-Herbert Schmidtke",
title = "Nonempirical calculations on diatomic transition
metals. {II}. {RHF} investigation of lowest
closed-shell states of homonuclear $3d$
transition-metal dimers",
journal = j-IJQC,
volume = "18",
number = "5",
pages = "1187--1205",
month = nov,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180507",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Carbo:1980:AFO,
author = "Ramon Carb{\'o} and Lloren{\c{c}}l Domingo and Josep
Gregori",
title = "Average {Fock} operators",
journal = j-IJQC,
volume = "18",
number = "5",
pages = "1207--1221",
month = nov,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180508",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jolly:1980:EPM,
author = "Pratibha Jolly and Kamalni Sane and K. V. Sane",
title = "Effective potential model for calculating the energy
shift in the ground state of two-electron atoms",
journal = j-IJQC,
volume = "18",
number = "5",
pages = "1223--1228",
month = nov,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180509",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Siegbahn:1980:DCI,
author = "Per E. M. Siegbahn",
title = "Direct configuration interaction with a reference
state composed of many reference configurations",
journal = j-IJQC,
volume = "18",
number = "5",
pages = "1229--1242",
month = nov,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180510",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jankowski:1980:ACP,
author = "K. Jankowski and J. Paldus",
title = "Applicability of coupled-pair theories to
quasidegenerate electronic states: a model study",
journal = j-IJQC,
volume = "18",
number = "5",
pages = "1243--1269",
month = nov,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180511",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Larsson:1980:IHF,
author = "Sven Larsson and Michael Hehenberger and Paulo
{Corr{\^e}a De Mello}",
title = "Ab initio {Hartree--Fock} and multiple-scattering
{X$\alpha$} calculation of the $g$ factors for
{CuF$_2$}",
journal = j-IJQC,
volume = "18",
number = "5",
pages = "1271--1278",
month = nov,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180512",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Coleman:1980:RHO,
author = "A. J. Coleman and I. Absar",
title = "Reduced {Hamiltonian} orbitals. {III}. {Unitarily}
invariant decomposition of {Hermitian} operators",
journal = j-IJQC,
volume = "18",
number = "5",
pages = "1279--1307",
month = nov,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180513",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Scharfenberg:1980:BRF,
author = "Peter Scharfenberg and J. Sauer",
title = "Biological response as a function of conformation,
chirality, and electronic characteristics: a
catecholamine study",
journal = j-IJQC,
volume = "18",
number = "5",
pages = "1309--1337",
month = nov,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180514",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1980:Mk,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "18",
number = "5",
pages = "fmi--fmii",
month = nov,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180501",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fanning:1980:CSI,
author = "M. O. Fanning and N. J. Fitzpatrick",
title = "{CNDO \slash INDO} formalism for $f$ block elements",
journal = j-IJQC,
volume = "18",
number = "6",
pages = "1339--1359",
month = dec,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180602",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Boca:1980:MPM,
author = "R. Bo{\v{c}}a and P. Pelik{\'a}n",
title = "Modified {PCILO} method. {II}. {Second}-order energy
and geometry of transition-metal halides",
journal = j-IJQC,
volume = "18",
number = "6",
pages = "1361--1370",
month = dec,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180603",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hopkinson:1980:TSS,
author = "A. C. Hopkinson and M. H. Lien",
title = "Theoretical study of substituent effects on the
acidity of the methyl group: {Structure} of anions
{CH$_2$X$^-$}",
journal = j-IJQC,
volume = "18",
number = "6",
pages = "1371--1391",
month = dec,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180604",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bendazzoli:1980:PAC,
author = "G. L. Bendazzoli and S. Evangelisti and F. Ortolani",
title = "{Pad{\'e}} algorithm for the computation of static and
dynamic second-order properties by large-scale {CI}
expansion",
journal = j-IJQC,
volume = "18",
number = "6",
pages = "1393--1404",
month = dec,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180605",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Morton-Blake:1980:MOT,
author = "D. A. Morton-Blake and N. R. Russell",
title = "Molecular-orbital treatment of complex cations of
magnesium and beryllium with acetonitrile",
journal = j-IJQC,
volume = "18",
number = "6",
pages = "1405--1413",
month = dec,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180606",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tindimubona:1980:OCE,
author = "Alex R. Tindimubona",
title = "One-center expansion method with model potentials.
{I}. {Formulation} and test calculations",
journal = j-IJQC,
volume = "18",
number = "6",
pages = "1415--1429",
month = dec,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180607",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kello:1980:FOD,
author = "Vladimir Kell{\"o} and Miroslav Urban",
title = "Fourth-order diagrammatic {MB--RSPT} calculations of
the correlation energy: {N$_2$}, {CO}, {F$_2$} and the
reaction energy of the process {$\frac{1}{2}$F$_2$ $+$
$\frac{1}{2}$H$_2$ $=$ HF}",
journal = j-IJQC,
volume = "18",
number = "6",
pages = "1431--1448",
month = dec,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180608",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Verwoerd:1980:VCS,
author = "W. S. Verwoerd",
title = "Variation of calculated single bond lengths in
saturated hydrocarbon and silicon hydride molecules",
journal = j-IJQC,
volume = "18",
number = "6",
pages = "1449--1463",
month = dec,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180609",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Largo-Cabrerizo:1980:OCS,
author = "J. Largo-Cabrerizo and F. M. Duque Calvo",
title = "Orbital contributions to some two-electron
properties",
journal = j-IJQC,
volume = "18",
number = "6",
pages = "1465--1472",
month = dec,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180610",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hehenberger:1980:ASM,
author = "Michael Hehenberger and Ulf H{\aa}lenius and Sven
Larsson",
title = "Absorption spectrum of manganian andalusite: {Cluster}
calculation by an ab initio method",
journal = j-IJQC,
volume = "18",
number = "6",
pages = "1473--1477",
month = dec,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180611",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Murthy:1980:SMO,
author = "A. S. N. Murthy and Shoba Ranganathan",
title = "Semiempirical molecular-orbital studies on the problem
of nonclassical resonance in the homoallylic cation",
journal = j-IJQC,
volume = "18",
number = "6",
pages = "1479--1482",
month = dec,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180612",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Maksic:1980:CQM,
author = "Z. B. Maksi{\'c}",
title = "Comment on quadrupole moments, dipole quadrupole {A}
and quadrupole {C} polarizabilities by means of
perturbation theory",
journal = j-IJQC,
volume = "18",
number = "6",
pages = "1483--1484",
month = dec,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180613",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bhattacharjee:1980:VFP,
author = "Ravi Shankar Bhattacharjee",
title = "Variational function of the {Pad{\'e}} type for the
ground state of the x$^4$ anharmonic oscillator",
journal = j-IJQC,
volume = "18",
number = "6",
pages = "1485--1487",
month = dec,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180614",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sabin:1980:AE,
author = "John R. Sabin",
title = "Addenda and errata",
journal = j-IJQC,
volume = "18",
number = "6",
pages = "1489--1489",
month = dec,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180615",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hartmann:1980:CNF,
author = "Hermann Hartmann and Kyu-Myung Chung",
title = "Classical nonlinear field theory of chemical bonding",
journal = j-IJQC,
volume = "18",
number = "6",
pages = "1491--1503",
month = dec,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180616",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Itagaki:1980:MBC,
author = "T. Itagaki and A. Saika",
title = "Many-body calculation of the electric field gradient
in the hydrogen molecule",
journal = j-IJQC,
volume = "18",
number = "6",
pages = "1505--1510",
month = dec,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180617",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Maekawa:1980:MLM,
author = "Hiroyuki Maekawa and Masahiko Hosokawa",
title = "Model for the lipid monolayer-phase transitions",
journal = j-IJQC,
volume = "18",
number = "6",
pages = "1511--1516",
month = dec,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180618",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hosokawa:1980:TMP,
author = "Masahiko Hosokawa",
title = "Theoretical model for the phase transition of a
membrane as a multicomponent system",
journal = j-IJQC,
volume = "18",
number = "6",
pages = "1517--1522",
month = dec,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180619",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Toyoda:1980:AEC,
author = "Kaoru Toyoda",
title = "Analyses of the electronic collective motions by means
of a nonlinear dynamical equation",
journal = j-IJQC,
volume = "18",
number = "6",
pages = "1523--1531",
month = dec,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180620",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kubota:1980:ETP,
author = "R. Kubota and H. Kobayashi and I. Tsujikawa and T.
Enoki",
title = "Electrical and thermal properties of the partially
oxidized salt of the {Magnus} green salt with the
formula {Pt$_6$(NH$_3$)$_{10}$Cl$_{10}$(HSO$_4$)$_4$}",
journal = j-IJQC,
volume = "18",
number = "6",
pages = "1533--1538",
month = dec,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180621",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Yuan-Sun:1980:CDAb,
author = "Kiang Yuan-Sun",
title = "Calculation of the determinant of the adjacency matrix
and the stability of conjugated molecules",
journal = j-IJQC,
volume = "18",
number = "6",
pages = "1539--1539",
month = dec,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180622",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Christov:1980:CTBb,
author = "S. G. Christov",
title = "Collision theory of bimolecular and unimolecular
reactions and its experimental test",
journal = j-IJQC,
volume = "18",
number = "6",
pages = "1541--1542",
month = dec,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180623",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1980:Ml,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "18",
number = "6",
pages = "fmi--fmii",
month = dec,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180601",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:35 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sarma:1980:SDL,
author = "M. H. Sarma and C. K. Mitra and Ramaswamy H. Sarma and
Sydney Archer",
title = "Structure of {DNA}-lucanthone intercalated complex",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "1--10",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180702",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Miller:1980:IMN,
author = "Kenneth J. Miller and Michael Lauer and Sydney
Archer",
title = "Interactions of molecules with nucleic acids. {V}.
{Intercalation} of thioxanthenones into {DNA}",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "11--34",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180703",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{VanZandt:1980:MAD,
author = "L. L. {Van Zandt} and E. W. Prohofsky and M. Kohli",
title = "Microwave absorption by double-helical {DNA}",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "35--38",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180704",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Mitra:1980:SSD,
author = "C. K. Mitra and Ramaswamy H. Sarma and C.
Giessner-Prettre and Bernard Pullman",
title = "Solution structure of {DNA}: {The} method of nuclear
magnetic resonance spectroscopy",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "39--66",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180705",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Gupta:1980:SMI,
author = "Raj K. Gupta",
title = "On the state of the magnesium ion in intact cells as
observed by noninvasive {$^{31}$P} {NMR} spectroscopy",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "67--73",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180706",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kertesz:1980:ENS,
author = "Judith C. Kertesz and Koloman Laki",
title = "Effect of neutral salts and methylglyoxal on the {\em
cis-trans\/} equilibrium of n-methylacetamide. {A}
13-carbon nuclear magnetic resonance study",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "75--81",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180707",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Moore:1980:EII,
author = "Richard D. Moore and Raj K. Gupta",
title = "Effect of insulin on intracellular {pH} as observed by
{$^{31}$P} {NMR} spectroscopy",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "83--92",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180708",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Gascoyne:1980:ESR,
author = "Peter R. C. Gascoyne",
title = "Electron spin resonance and spectral studies of bovine
serum albumin-methylglyoxal complexes",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "93--100",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180709",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kumar:1980:CFE,
author = "N. Vasanth Kumar and Girjesh Govil",
title = "Conformation and flexibility of the $3^\prime$-end of
{tRNA}",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "101--113",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180710",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Weintraub:1980:CAA,
author = "H. J. R. Weintraub and Paul G. Seybold",
title = "Conformational analysis of anilinonaphthalenesulfonate
derivatives. {I}. 2-anilino-6-naphthalenesulfonate",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "115--122",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180711",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Saran:1980:MOS,
author = "Anil Saran and C. L. Chatterjee",
title = "Molecular orbital studies on nucleoside antibiotics
{III}. {Conformation} of toyocamycin and sangivamycin",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "123--136",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180712",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Herman:1980:CGS,
author = "Zelek S. Herman and Gilda H. Loew and Marie-Madeleine
Rohmer",
title = "Calculated ground-state properties and optical
spectrum of model carbonylheme complexes",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "137--153",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180713",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Sapse:1980:ESP,
author = "Anne-Marie Sapse",
title = "Electronic studies of the pyrrolidine molecule with
aziridine ring",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "155--162",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180714",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Thomson:1980:ICE,
author = "Colin Thomson",
title = "Ab-initio calculations of the equilibrium geometry of
$\beta$-propiolactone (2-oxetanone) by the force
method",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "163--169",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180715",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Abdulnur:1980:ISM,
author = "S. F. Abdulnur",
title = "Ab-initio study of the mechanism for the reaction of a
primary amine with an aldehyde group",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "171--176",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180716",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kerteasz:1980:ESP,
author = "Mikl{\'o}as Kert{\'e}asz and Jo{\v{z}}ke Koller and
Andrej A{\v{z}}kman",
title = "On the electronic structure of periodic polyglycine",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "177--179",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180717",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Ladik:1980:IBS,
author = "J{\'a}anos Ladik and S{\'a}andor Suhai",
title = "Ab-initio band structure of polycytidine; internal
charge transfer in {DNA}",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "181--186",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180718",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Randica:1980:GEC,
author = "Milan Randi{\'c}a",
title = "Graphical enumeration of conformations of chains",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "187--197",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180719",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Scheiner:1980:PTP,
author = "Steve Scheiner",
title = "Proton transfer potentials in hydrogen-bonded systems:
{(H$_5$O$_2$)}$^+$",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "199--206",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180720",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Pack:1980:MGO,
author = "George R. Pack and Dudley V. Goetschel",
title = "Molecular geometry optimization by semiempirical
methods using an optimized minimization of electronic
and nuclear energies",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "207--216",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180721",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Szent-Gyorgyi:1980:LSC,
author = "A. Szent-Gy{\"o}rgyi",
title = "The living state and cancer",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "217--222",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180722",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Loew:1980:MSA,
author = "Gilda H. Loew and Andrew T. Pudzianowski and Alfredo
Czerwinski and James E. {Ferrell, Jr.}",
title = "Mechanistic studies of addition of nucleophiles to
arene oxides and diol epoxides: {Candidate} ultimate
carcinogens",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "223--244",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180723",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Pullman:1980:EEM,
author = "Alberte Pullman and Bernard Pullman",
title = "Electrostatic effect of the macromolecular structure
on the biochemical reactivity of the nucleic acids.
{Significance} for chemical carcinogenesis",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "245--259",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180724",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Seybold:1980:MOS,
author = "Paul G. Seybold and Astrid Gr{\"a}uslund",
title = "A molecular orbital study of the metabolism and
carcinogenicity of the phenols of benzo(a)pyrene",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "261--270",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180725",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Seybold:1980:ARF,
author = "Paul G. Seybold",
title = "Aryloxy radical formation as a deactivating process in
chemical carcinogenesis: {Phenolic} derivatives of
7,12-dimethylbenz[a]anthracene and 5-methylchrysene",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "271--276",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180726",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Findley:1980:GGC,
author = "G. L. Findley and S. P. Mcglynn",
title = "The Generalized Genetic Code. {A} Modification of Code
Universality",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "277--281",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180727",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Broch:1980:QMS,
author = "H. Broch and D. Cabrol and D. Vasilescu",
title = "Quantum Mechanical Simulation of the Interaction
Between the Radioprotector cysteamine and {DNA}",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "283--295",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180728",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Andrews:1980:SES,
author = "P. R. Andrews and J. A. Defina",
title = "Stereochemistry and electronic structure of
anticonvulsant drugs",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "297--313",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180729",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Radhakrishnan:1980:NIM,
author = "R. Radhakrishnan and Subhashini Srinivasan and C. V.
Prasad and S. R. Brinda and R. D. MacElroy and
K. Sundaram",
title = "Nonbonded interactions in membrane active cyclic
biopolymers. {IV}. Cation dependence",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "315--322",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180730",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lavery:1980:MEP,
author = "Richard Lavery and Didier Cauchy and Olivia {De La Luz
Rojas} and Alberte Pullman",
title = "Molecular electrostatic potential of the {B-DNA}
helix. {VII}. Effect of screening by monovalent
cations",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "323--330",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180731",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Davies:1980:PAC,
author = "R. H. Davies and L. H. Smith",
title = "Partial agonism of cardiac $\beta$-adrenoceptor
blocking agents and competitive conformer-receptor
occupancy",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "331--345",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180732",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Slater:1980:ETR,
author = "Trevor F. Slater and Mustaq Ahmed and Chiara Benedetto
and Kevin Cheeseman and John E. Packer and Robin
L. Willson and Mario U. Dianzani",
title = "Electron transfer reactions in endoplasmic reticulum:
{Free} radical production, lipid peroxidation, covalent
binding and cell division",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "347--356",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180733",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Karle:1980:SDA,
author = "Jerome Karle",
title = "Some developments in anomalous dispersion for the
structural investigation of macromolecular systems in
biology",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "357--367",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180734",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Gupta:1980:MAL,
author = "Raj K. Gupta and John M. Pesando",
title = "Mechanism of activity-linked ionization in carbonic
anhydrase",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "369--373",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180735",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Ducla-Soares:1980:AMC,
author = "Eduardo Ducla-Soares and Maria Margarida Godinho",
title = "An application of microphysical concepts to the
sensory response: {Cooperative} effects",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "375--383",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180736",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Cross:1980:MHE,
author = "Thomas E. Cross and Ronald Pethig",
title = "Microwave {Hall} effect measurements on biopolymers",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "385--395",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180737",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Naaray-Szaboa:1980:EEE,
author = "G. N{\'a}aray-Szab{\'o}a and L. Polg{\'a}r",
title = "Effect of environment on enzymatic action:
{His-64\dottedbond{}asp-32} proton transfer in
subtilisin",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "397--402",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180738",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Klasinc:1980:APS,
author = "L. Klasinc and N. Trinajsti{\'c}a and J. V. Knop",
title = "Application of photoelectron spectroscopy to
biologically active molecules and their constituent
parts. {VIII}. {Thalidomide}",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "403--409",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180739",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Pohl:1980:OFA,
author = "Herbert A. Pohl",
title = "Oscillating fields about growing cells",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "411--431",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180740",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Anonymous:1980:A,
author = "Anonymous",
title = "Abstracts",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "433--434",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180741",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Anonymous:1980:Mm,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "fmi--fmi",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180701",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Anonymous:1980:Mo,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "18",
number = "S7",
pages = "fmi--fmi",
day = "5--8",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180701",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:46 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Freidman:1980:I,
author = "Ambassador Bengt Freidman",
title = "Introduction",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "1--4",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180802",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Bryan:1980:NAH,
author = "Robert A. Bryan",
title = "On the nature of {American Higher Education}",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "5--7",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180803",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Anonymous:1980:BW,
author = "Anonymous",
title = "{E. Bright Wilson}",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "9--16",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180804",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Wilson:1980:SPS,
author = "E. Bright Wilson",
title = "Some personal scientific reminiscences",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "17--29",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180805",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Mollmann:1980:THG,
author = "James C. Mollmann and Libero J. Bartolotti",
title = "Third-harmonic generation and intensity-dependent
refractive index of atomic hydrogen",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "31--41",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180806",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Blinder:1980:AFN,
author = "S. M. Blinder",
title = "Asymptotic forms for the nonrelativistic {Coulomb}
propagator",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "43--51",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180807",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Junker:1980:CSM,
author = "B. R. Junker",
title = "The complex stabilization method: {Application} to
atomic resonances",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "53--66",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180808",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Das:1980:REE,
author = "M. P. Das",
title = "Relativistic exchange energies for heavy atoms",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "67--70",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180809",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Green:1980:AME,
author = "A. E. S. Green and P. F. Schippnick and D. E. Rio and
P. S. Ganas",
title = "An analytic model of electron-oxygen elastic
scattering in the {1--500-eV} range",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "71--82",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180810",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Petelenz:1980:ITM,
author = "Piotr Petelenz and Vedene H. {Smith, Jr.}",
title = "An integral transform method for solving a quantum
mechanical three-body problem with exponential-type
potentials",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "83--92",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180811",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Tatewaki:1980:CCG,
author = "Hiroshi Tatewaki and Sigeru Huzinaga",
title = "Compact contracted {Gaussian}-type basis sets from
{Li} to {Ne}",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "93--106",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180812",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Sakai:1980:CCG,
author = "Yoshiko Sakai and Hiroshi Tatewaki and Sigeru
Huzinaga",
title = "Compact contracted {Gaussian}-type basis sets from
{Na} to {Ar}: {Application} to molecular calculations",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "107--112",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180813",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Simons:1980:CCR,
author = "Jack Simons",
title = "The complex coordinate rotation method and exterior
scaling: {A} simple example",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "113--121",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180814",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Keller:1980:AKS,
author = "Jaime Keller and Walter Baltensperger",
title = "The analysis of the {Knight} shift in the $\mu^+$ {SR}
technique",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "123--129",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180815",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Csavinszky:1980:VST,
author = "P. Csavinszky",
title = "Variational solution of the {Thomas--Fermi} equation
for compressed atoms at high temperatures",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "131--134",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180816",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Golden:1980:GHS,
author = "Sidney Golden",
title = "Generalized {Hartree-Slater} theory: {Lower} bounds to
{Hartree--Fock} energies",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "135--142",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180817",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Cohen:1980:RDM,
author = "L. Cohen and P. Santhanam and C. Frishberg",
title = "Reduced density matrix equations and functionals for
correlation energy",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "143--154",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180818",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Bell:1980:BBD,
author = "J. S. Bell",
title = "{De Broglie--Bohm}, delayed-choice, double-slit
experiment, and density matrix",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "155--159",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180819",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Frishberg:1980:HFD,
author = "C. Frishberg and L. Cohen and P. Blumenau",
title = "{Hartree--Fock} density matrix equation: {Open}-shell
systems",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "161--165",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180820",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Massa:1980:LEM,
author = "L. J. Massa and L. Cohen",
title = "A local energy method based on the reduced density
matrix equations",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "167--173",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180821",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Roos:1980:CAS,
author = "Bj{\"o}rn O. Roos",
title = "The complete active space {SCF} method in a
{Fock}-matrix-based super-{CI} formulation",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "175--189",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180822",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Vela:1980:ESD,
author = "Alberto Vela and Andoni Garritz",
title = "Electronic structure of dichloro-bridged
{ruthenium(II)} dimers",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "191--200",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180823",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Rives:1980:NHO,
author = "A. B. Rives and F. Weinhold",
title = "Natural hybrid orbitals: {Ab} initio {SCF} and {CI}
results for {CO} and {NiCO}",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "201--209",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180824",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Shepard:1980:MWO,
author = "Ron Shepard and Jack Simons",
title = "Multiconfigurational wavefunction optimization using
the unitary group method",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "211--228",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180825",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Blomberg:1980:GSP,
author = "Margareta R. A. Blomberg and Per E. M. Siegbahn and
Bj{\"o}rn O. Roos",
title = "The ground-state potential curve of the beryllium
dimer",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "229--247",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180826",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Albertsen:1980:MTD,
author = "Preben Albertsen and Poul J{\o}rgensen and Danny L.
Yeager",
title = "Multiconfigurational time-dependent {Hartree--Fock}
calculation of vertical excitation energies and
transition moments of {O$_2$}",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "249--260",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180827",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Wahl:1980:DCE,
author = "Arnold C. Wahl and Edward S. Sachs and John H.
Detrich",
title = "The differential correlation energy method for the
calculation of electron affinities, ionization
potentials, and vertical spectra",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "261--261",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180828",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Detrich:1980:TSA,
author = "John Detrich and Edward S. Sachs and Arnold C. Wahl",
title = "Theoretical studies of atmospheric triatomic
molecules",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "262--262",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180829",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lim:1980:SSE,
author = "T. K. Lim",
title = "Solving the {Schr{\"o}dinger} equation without
integration",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "263--268",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180830",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Yamaguchi:1980:MMC,
author = "Kizashi Yamaguchi",
title = "Multireference {(MR)} configuration interaction {(CI)}
approach for quasidegenerate systems",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "269--284",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180831",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Langhoff:1980:TSP,
author = "P. W. Langhoff and N. Padial and G. Csanak and T. N.
Rescigno and B. V. Mckoy",
title = "Theoretical studies of photoionization in diatomic and
polyatomic molecules",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "285--304",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180832",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Cvitas:1980:PSS,
author = "T. Cvita{\v{s}} and L. Klasinc and I. Novak and H.
G{\"u}sten",
title = "Photoelectron spectra of some perhalogenated
methanes",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "305--313",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180833",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Nicolaides:1980:FAM,
author = "C. A. Nicolaides and G. Theodorakopoulos",
title = "{FOTOS} applied to molecules: {Oscillator} strengths
in {H$_2$O}",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "315--322",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180834",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Beck:1980:TIC,
author = "D. R. Beck and C. A. Nicolaides",
title = "On the theoretical interpretation and calculation of
inner-electron photoemission spectra in atoms and
solids",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "323--333",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180835",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Mishra:1980:CTP,
author = "Manoj Mishra and Yngve {\"O}hrn",
title = "Correlated treatment of photoionization cross sections
in the orthogonalized plane wave approximation for the
ejected electron",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "335--348",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180836",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Shepard:1980:ESS,
author = "Ron Shepard and Jack Simons",
title = "The electronic structure of singlet
cyclopentadienylidene",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "349--353",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180837",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Harris:1980:FMM,
author = "Frank E. Harris and A. Trautwein and J. Delhalle",
title = "The {FAKE} method of molecular orbital calculation",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "355--361",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180838",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Newton:1980:FEE,
author = "Marshall D. Newton",
title = "Formalisms for electron-exchange kinetics in aqueous
solution and the role of ab initio techniques in their
implementation",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "363--391",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180839",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Ziegler:1980:REB,
author = "T. Ziegler and J. G. Snijders and E. J. Baerends",
title = "Relativistic effects on bonding",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "393--394",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180840",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Broclawik:1980:ESS,
author = "Ewa Broclawik and Vedene H. {Smith, Jr.}",
title = "Electronic structure of selenium chains by the
{SCF--SW--X$\alpha$} method",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "395--403",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180841",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Piela:1980:LRI,
author = "Lucjan Piela and Jean-Marie Andr{\'e} and Jean-Luc
Br{\'e}das and Joseph Delhalle",
title = "Long-range interactions in periodic helices. {A}
method for accurate calculation at the {Hartree--Fock}
level",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "405--418",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180842",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Andre:1980:ALC,
author = "J.-M. Andr{\'e} and J.-L. Br{\'e}das and J. Delhalle
and Y. Kalenov and L. Piela and J. L. Calais",
title = "{AMO} in linear chains of hydrogen atoms revisited",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "419--429",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180843",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Delhalle:1980:ULT,
author = "Joseph Delhalle and Joseph G. Fripiat and Lucjan
Piela",
title = "On the use of {Laplace} transform to evaluate
one-dimensional lattice summations in quantum
calculations of model polymers",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "431--442",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180844",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kattija-Ari:1980:MSC,
author = "Mano Kattija-Ari and Marlin D. Harmony",
title = "The microwave spectrum and conformation of
hydroxyacetone: {The} influence of hydrogen bonding on
the barrier to internal rotation of the methyl group",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "443--453",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180845",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Brener:1980:EPS,
author = "N. E. Brener and J. L. Fry and T. C. Collins",
title = "Excitations of the {$N$}-particle system in the
generalized random phase approximation",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "455--460",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180846",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Murgich:1980:CBC,
author = "J. Murgich and Y. Aray",
title = "Correlation between the {CN} stretching force constant
and the electric field gradient at the {N} nucleus in
some nitriles",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "461--461",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180847",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kertesz:1980:NEC,
author = "Miklos Kertesz and Joze Koller and Andrej Azman",
title = "Need for electronic correlation calculations in
polymers",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "463--466",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180848",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Bacic:1980:ACR,
author = "Zlatko Ba{\v{c}}i{\'c} and Jack Simons",
title = "Application of the coordinate rotation method to
metastable atom-diatom scattering resonances",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "467--475",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180849",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Flannery:1980:CTT,
author = "M. R. Flannery",
title = "Charge transfer in three-body ion-ion recombination at
low gas densities",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "477--482",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180850",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Nalewajski:1980:UVT,
author = "Roman F. Nalewajski",
title = "Use of the virial theorem in modeling the potential
energy surfaces for triatomic collinear reactions",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "483--492",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180851",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Weatherford:1980:AAE,
author = "C. A. Weatherford and B. L. Jain",
title = "An analytic approach to electron-molecule potentials
using {STOs}",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "493--502",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180852",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Knop:1980:CGT,
author = "J. V. Knop and N. Trinajsti{\'c}",
title = "Chemical graph theory. {II}. {On} the graph
theoretical polynomials of conjugated structures",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "503--520",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180853",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Tang:1980:LAM,
author = "Au-Chin Tang and Chia-Chung Sun and Bei-Foo Li",
title = "{Lie} algebra and molecular shell model. {I}",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "521--540",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180854",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kiang:1980:DAM,
author = "Yuan-Sun Kiang",
title = "Determinant of adjacency matrix and {Kekul{\'e}}
structures",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "541--547",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180855",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Guo-Sen:1980:GTF,
author = "Yan Guo-Sen",
title = "The graph theoretical formulas for determinant
expansions",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "549--555",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180856",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Randic:1980:SPG,
author = "Milan Randi{\'c}",
title = "Symmetry properties of graphs of interest in
chemistry. {III}. {Homotetrahedryl} rearrangement",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "557--577",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180857",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Satoh:1980:ECG,
author = "Mitsuo Satoh and Toshihiko Taki",
title = "Electric center of gravity of overlap charge
distribution in impurity-doped ionic crystals",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "579--583",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180858",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kunz:1980:TES,
author = "A. Barry Kunz and R. S. Weidman and J. Boettger and G.
Cochran",
title = "Theory of electronic states in narrow-band materials:
{Applications} to solids, argon, {CuCl}, and {CdS}",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "585--596",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180859",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Oriade:1980:BQM,
author = "Joseph Oriade",
title = "Biquadratic quasianalytic methods for {Brillouin} zone
integration",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "597--605",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180860",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Allen:1980:TCE,
author = "Roland E. Allen and Harold P. Hjalmarson and Helmut
B{\"u}ttner and Peter Vogl and Donald J. Wolford and
Otto F. Sankey and John D. Dow",
title = "Theory of core exciton binding energies for excitons
near interfaces",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "607--615",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180861",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Gortel:1980:QST,
author = "Z. W. Gortel and H. J. Kreuzer",
title = "Quantum statistical theory of localized
physisorption",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "617--628",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180862",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Avery:1980:TIDb,
author = "John Avery and Per-Johan {\O}rmen",
title = "Transferable integrals in a deformation density
approach to crystal orbital calculations. {V}.
{Coupling} coefficients for crystal symmetry
functions",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "629--636",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180863",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kitagawa:1980:PST,
author = "M. Kitagawa and Y. H. Ohtsuki",
title = "Plasma solitons trailing moving ions",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "637--644",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180864",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Fry:1980:EPS,
author = "J. L. Fry and N. E. Brener and J. D. Mcnutt",
title = "Electron and positron states on the (001) surface of
paramagnetic chromium",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "645--649",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180865",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Callaway:1980:STD,
author = "Joseph Callaway and S. P. Singhal",
title = "Scattering theory of defects in solids: {Theory} and
application to the atomic vacancy",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "651--663",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180866",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Gabbay:1980:MSI,
author = "I. Gabbay and N. H. March",
title = "Metal surfaces in interaction with molecular
adsorbates",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "665--679",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180867",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Mccaskill:1980:DAI,
author = "J. S. Mccaskill and N. H. March",
title = "Dynamics of adatoms interacting with metals and metal
surfaces: {The} validity of the description given by
{Kramers}' equation",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "681--693",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180868",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Karo:1980:SRD,
author = "Arnold M. Karo and John R. Hardy",
title = "Shock and reaction dynamics in condensed materials",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "695--695",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180869",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Koutecky:1980:SPS,
author = "J. Kouteck{\'y}",
title = "Some problems of surface quantum chemistry",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "696--696",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180870",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Pettitt:1980:TCP,
author = "B. Montgomery Pettitt and Shridhar R. Gadre and Robert
L. Matcha",
title = "Theoretical {Compton} profile anisotropics in
molecules and solids. {VIII}. {Vibrational},
rotational, and temperature-dependent diatomic alkali
halide anisotropics",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "697--706",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180871",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Mintmire:1980:LDF,
author = "J. W. Mintmire and J. R. Sabin",
title = "Local density functional methods in two-dimensionally
periodic systems. {I}. {The} atomic hydrogen
monolayer",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "707--713",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180872",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Sears:1980:PCC,
author = "V. F. Sears and E. C. Svensson",
title = "Pair correlations and the condensate fraction in
superfluid {$^4$He}",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "715--721",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180873",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Enz:1980:WIM,
author = "Charles P. Enz",
title = "Weak itinerant magnetism, new developments:
{TiBe$_2$}",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "723--727",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180874",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Matthias:1980:SE,
author = "Bernd T. Matthias",
title = "Superconductivity and eutectics",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "729--730",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180875",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Anonymous:1980:Mn,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "18",
number = "S14",
pages = "fmi--fmi",
day = "10--20",
month = mar,
year = "1980",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560180801",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 12:51:49 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational
Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Duprez-Quesnoit:1981:DIM,
author = "C. Duprez-Quesnoit",
title = "Definition of invariant molecular tensors in an origin
change. {III}. {Comparison} of the methods suitable for
the obtainment of invariant tensors for refraction and
the {Faraday} effect",
journal = j-IJQC,
volume = "19",
number = "2",
pages = "191--205",
month = feb,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190202",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Banerjee:1981:CCM,
author = "Ajit Banerjee and Jack Simons",
title = "The coupled-cluster method with a multiconfiguration
reference state",
journal = j-IJQC,
volume = "19",
number = "2",
pages = "207--216",
month = feb,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190203",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gianturco:1981:VIS,
author = "F. A. Gianturco and U. T. Lamanna and F. Battaglia",
title = "Vibrationally inelastic scattering and relaxation
times in gaseous {HF}",
journal = j-IJQC,
volume = "19",
number = "2",
pages = "217--236",
month = feb,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190204",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Linderberg:1981:ARR,
author = "Jan Linderberg",
title = "Algebraic Reductions of the Real Symmetric $4 \times
4$ Secular Problem",
journal = j-IJQC,
volume = "19",
number = "2",
pages = "237--249",
month = feb,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190205",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dyadyusha:1981:ASFa,
author = "G. G. Dyadyusha and E. S. Kryachko",
title = "Algebraic structure of fermion density matrices. {I}",
journal = j-IJQC,
volume = "19",
number = "2",
pages = "251--257",
month = feb,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190206",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hiberty:1981:AMO,
author = "P. C. Hiberty",
title = "Analysis of molecular orbital wave functions in terms
of valence bond functions for molecular fragments. {I}.
{Theory}",
journal = j-IJQC,
volume = "19",
number = "2",
pages = "259--269",
month = feb,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190207",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{McDowell:1981:UNO,
author = "Keith McDowell",
title = "Use of noncanonical orbitals in many-body perturbation
theory",
journal = j-IJQC,
volume = "19",
number = "2",
pages = "271--282",
month = feb,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190208",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dutta:1981:SCC,
author = "Dilip K. Dutta and Sankar Sengupta",
title = "Self-consistent calculation of $1s 2s^3$ {S} state of
helium and heliumlike ions",
journal = j-IJQC,
volume = "19",
number = "2",
pages = "283--291",
month = feb,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190209",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Katriel:1981:MBL,
author = "J. Katriel and C. J. Appellof and E. R. Davidson",
title = "Mapping between local potentials and ground state
densities",
journal = j-IJQC,
volume = "19",
number = "2",
pages = "293--300",
month = feb,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190210",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cimiraglia:1981:SCH,
author = "Renzo Cimiraglia and Raffaele Resta",
title = "Study of correlation holes. {II}. {CI} calculations on
model polyatomic systems",
journal = j-IJQC,
volume = "19",
number = "2",
pages = "301--318",
month = feb,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190211",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Roeggen:1981:APG,
author = "I. R{\o}eggen",
title = "Antisymmetric product of geminals in the context of
the method of moments",
journal = j-IJQC,
volume = "19",
number = "2",
pages = "319--335",
month = feb,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190212",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ulmer:1981:ESM,
author = "W. Ulmer",
title = "Electronic structure of the metabolites of
cyclophosphamide",
journal = j-IJQC,
volume = "19",
number = "2",
pages = "337--359",
month = feb,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190213",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ischenko:1981:NFD,
author = "S. Ya. Ischenko and V. B. Pavlov-Verevkin",
title = "New finite-difference method for solving the pair
radial equations of the many electron perturbation
theory",
journal = j-IJQC,
volume = "19",
number = "2",
pages = "361--372",
month = feb,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190214",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sen:1981:SDQ,
author = "K. D. Sen and P. C. Schmidt",
title = "Static dipole and quadrupole polarizabilities of
alkaline earth atoms",
journal = j-IJQC,
volume = "19",
number = "2",
pages = "373--376",
month = feb,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190215",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1981:Ma,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "19",
number = "2",
pages = "fmi--fmii",
month = feb,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190201",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gustav:1981:SSS,
author = "Klaus Gustav and Roland Colditz",
title = "Suitability of a square step potential as an
oscillator potential",
journal = j-IJQC,
volume = "19",
number = "3",
pages = "379--381",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190302",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Abu-Eittah:1981:MOT,
author = "Rafie Abu-Eittah and Rifaat Hilal and Maher M.
Hamed",
title = "Molecular orbital treatment of phenylfurans and
bifurans",
journal = j-IJQC,
volume = "19",
number = "3",
pages = "383--399",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190303",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gutowski:1981:AEE,
author = "Maciej Gutowski and Ma{\l}gorzata K{\k{a}}kol and Jan
Andzelm and Lucjan Piela",
title = "Approximate exchange and electrostatic interaction
energies of deformed ions",
journal = j-IJQC,
volume = "19",
number = "3",
pages = "401--411",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190304",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ruttink:1981:GGB,
author = "Paul J. A. Ruttink",
title = "Generation of generalized branching diagram spin
functions by {Schmidt} orthogonalization of spin-paired
functions",
journal = j-IJQC,
volume = "19",
number = "3",
pages = "413--426",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190305",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lieb:1981:ILB,
author = "Elliott H. Lieb and Stephen Oxford",
title = "Improved lower bound on the indirect {Coulomb}
energy",
journal = j-IJQC,
volume = "19",
number = "3",
pages = "427--439",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190306",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Suck:1981:KDT,
author = "Sung Ho Suck",
title = "The kernel of {DWBA} transition amplitude in
atom--diatom reactive scattering",
journal = j-IJQC,
volume = "19",
number = "3",
pages = "441--450",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190307",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Miyoshi:1981:TSE,
author = "Eisaku Miyoshi and Toshikazu Takada and Shigeru Obara
and Hiroshi Kashiwagi and Kimio Ohno",
title = "Theoretical study of excitation energies of some
{CoF$_6^{n-}$} complexes",
journal = j-IJQC,
volume = "19",
number = "3",
pages = "451--461",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190308",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Blake:1981:MCC,
author = "I. Ortega Blake and A. Le{\'s}",
title = "Magnesium and calcium cation--ligand interactions
within the pseudopotential approach. {II}.
{Cation--GABA} interactions",
journal = j-IJQC,
volume = "19",
number = "3",
pages = "463--475",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190309",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Csavinszky:1981:AVP,
author = "P. Csavinszky and C. E. Tarr",
title = "Addendum to {``Variational principle for obtaining
approximate analytical solutions of the
temperature-perturbed Thomas--Fermi equation for
compressed atoms''}",
journal = j-IJQC,
volume = "19",
number = "3",
pages = "477--481",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190310",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Taylor:1981:VTG,
author = "William J. Taylor",
title = "Variational treatment of the ground state of the
hydrogenic atom using the trial function {$\varphi = A
\exp(-\alpha r^\nu)$}",
journal = j-IJQC,
volume = "19",
number = "3",
pages = "483--484",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190311",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{De:1981:CSS,
author = "B. R. De and A. B. Sannigrahi",
title = "Comparative study of the structure and properties of
{ClF$_2$} and {Cl$_3$} radicals by {CNDO/2} and {INDO}
methods",
journal = j-IJQC,
volume = "19",
number = "3",
pages = "485--488",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190312",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Nalewajski:1981:E,
author = "Roman F. Nalewajski",
title = "Erratum",
journal = j-IJQC,
volume = "19",
number = "3",
pages = "489--489",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190313",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1981:Mb,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "19",
number = "3",
pages = "fmi--fmii",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190301",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fantucci:1981:DEM,
author = "Piercarlo Fantucci and Stefano Polezzo and Laura
Trombetta",
title = "Direct energy minimization of self-consistent electron
pair by an orthogonal transformation of the basis",
journal = j-IJQC,
volume = "19",
number = "4",
pages = "493--500",
month = apr,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190402",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gaspar:1981:IMF,
author = "R. {G{\'a}sp{\'a}r, Jr.} and R. G{\'a}sp{\'a}ar",
title = "Ab initio molecular fragment calculations with
pseudopotentials. {Some} fragments containing nitrogen
and oxygen",
journal = j-IJQC,
volume = "19",
number = "4",
pages = "501--503",
month = apr,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190403",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dyadyusha:1981:ASFb,
author = "G. G. Dyadyusha and Eugene S. Kryachko",
title = "Algebraic structure of fermion density matrices.
{II}",
journal = j-IJQC,
volume = "19",
number = "4",
pages = "505--514",
month = apr,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190404",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mukhopadhyay:1981:SCM,
author = "A. K. Mukhopadhyay and N. G. Mukherjee",
title = "Self-Consistent methods in {H{\"u}ckel} and extended
{H{\"u}ckel} theories",
journal = j-IJQC,
volume = "19",
number = "4",
pages = "515--519",
month = apr,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190405",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fernandez:1981:HAEa,
author = "Francisco M. Fern{\'a}ndez and Eduardo A. Castro",
title = "Hypervirial analysis of enclosed quantum mechanical
systems. {I}. {Dirichlet} boundary conditions",
journal = j-IJQC,
volume = "19",
number = "4",
pages = "521--532",
month = apr,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190406",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fernandez:1981:HAEb,
author = "Francisco M. Fern{\'a}ndez and Eduardo A. Castro",
title = "Hypervirial analysis of enclosed quantum mechanical
systems. {II}. {von Neumann} boundary conditions and
periodic potentials",
journal = j-IJQC,
volume = "19",
number = "4",
pages = "533--543",
month = apr,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190407",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Adamowicz:1981:BSG,
author = "Ludwik Adamowicz",
title = "Basis set generation for the {SCF} calculation",
journal = j-IJQC,
volume = "19",
number = "4",
pages = "545--551",
month = apr,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190408",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Smeyers:1981:IDN,
author = "Yves G. Smeyers and M. Nieves Bellido",
title = "Internal dynamics of nonrigid molecules. {I}.
{Application} to acetone",
journal = j-IJQC,
volume = "19",
number = "4",
pages = "553--565",
month = apr,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190409",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jones:1981:EFO,
author = "Herbert W. Jones",
title = "Exact formulas for overlap integrals of {Slater}-type
orbitals with equal screening constants",
journal = j-IJQC,
volume = "19",
number = "4",
pages = "567--574",
month = apr,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190410",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Deshmukh:1981:EEM,
author = "Pranawa Deshmukh and Jan Linderberg",
title = "Extension of {EWMO} model to particle-hole
excitations",
journal = j-IJQC,
volume = "19",
number = "4",
pages = "575--584",
month = apr,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190411",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Beran:1981:AGO,
author = "S. Beran and Z. Slanina and D. C. Zidarov",
title = "Automatic geometry optimization for molecules with $d$
orbitals. {III}. {The EHT} method with electrostatic
corrections",
journal = j-IJQC,
volume = "19",
number = "4",
pages = "585--591",
month = apr,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190412",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{El-Basil:1981:ARE,
author = "Sherif El-Basil",
title = "Additivity of resonance energy in benzenoid
hydrocarbons",
journal = j-IJQC,
volume = "19",
number = "4",
pages = "593--609",
month = apr,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190413",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Basilevsky:1981:DCR,
author = "M. V. Basilevsky and V. M. Ryaboy",
title = "Direct calculation of resonant states in reactive
scattering. {Application} to linear triatomic systems",
journal = j-IJQC,
volume = "19",
number = "4",
pages = "611--635",
month = apr,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190414",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Novaro:1981:TBP,
author = "O. Novaro and S. Castillo and W. Ko{\l}os and A.
Le{\'s}",
title = "Three-body potential energy terms for methane
trimers",
journal = j-IJQC,
volume = "19",
number = "4",
pages = "637--648",
month = apr,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190415",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bauschlicher:1981:ICF,
author = "Charles W. {Bauschlicher, Jr.} and Byron H.
{Lengsfield III}",
title = "Improved {CI} formula evaluation: Elimination of the
phase determination at the determinant level for
arbitrarily coupled {CSFs}",
journal = j-IJQC,
volume = "19",
number = "4",
pages = "649--654",
month = apr,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190416",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Varracchio:1981:EPT,
author = "E. Ficocelli Varracchio",
title = "Effective potential theory of atom--diatom scattering
in the presence of ``intermediate'' reactive channels",
journal = j-IJQC,
volume = "19",
number = "4",
pages = "655--671",
month = apr,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190417",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bonchev:1981:ITI,
author = "D. Bonchev",
title = "Information theory interpretation of the {Pauli}
principle and {Hund} rule",
journal = j-IJQC,
volume = "19",
number = "4",
pages = "673--679",
month = apr,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190418",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{DaCunhaLima:1981:SCAa,
author = "I. C. {Da Cunha Lima} and A. Ferreira {Da Silva} and
N. J. Parada",
title = "Self-Consistent {APW}--$k \cdot p$ method. {I}.
{Theory}",
journal = j-IJQC,
volume = "19",
number = "4",
pages = "681--691",
month = apr,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190419",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Poirier:1981:UQGa,
author = "R. A. Poirier and R. Daudel and I. G. Csizmadia",
title = "Uniform quality {Gaussian} basis sets for molecular
calculations. {III}. {Charge} optimized basis sets",
journal = j-IJQC,
volume = "19",
number = "4",
pages = "693--710",
month = apr,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190420",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Poirier:1981:UQGb,
author = "Raymond A. Poirier and Raymond Daudel and Imre G.
Csizmadia",
title = "Uniform quality {Gaussian} basis sets for molecular
calculations. {IV}. {Gradient} and charged optimized
basis sets for {CH$_4$}",
journal = j-IJQC,
volume = "19",
number = "4",
pages = "711--718",
month = apr,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190421",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Les:1981:E,
author = "A. Le{\'s} and I. Ortega Blake",
title = "Erratum",
journal = j-IJQC,
volume = "19",
number = "4",
pages = "719--720",
month = apr,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190422",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1981:Mc,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "19",
number = "4",
pages = "fmi--fmii",
month = apr,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190401",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Oriade:1981:FSB,
author = "Joseph Oriade",
title = "The {Fermi} surface of beryllium",
journal = j-IJQC,
volume = "19",
number = "5",
pages = "721--727",
month = may,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190502",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ganas:1981:OOS,
author = "P. S. Ganas",
title = "Optical oscillator strengths for isoelectronic ions of
nitrogen",
journal = j-IJQC,
volume = "19",
number = "5",
pages = "729--734",
month = may,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190503",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bhattacharyya:1981:SOE,
author = "Sankar Prasad Bhattacharyya",
title = "A scaled ``one-electron {Hamiltonian}'' model for
open-shell {LCAO--MO--SCF} calculations",
journal = j-IJQC,
volume = "19",
number = "5",
pages = "735--743",
month = may,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190504",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Heffernan:1981:ESI,
author = "Daniel M. Heffernan and Richard L. Liboff",
title = "Exact solutions for interacting finite potential
wells",
journal = j-IJQC,
volume = "19",
number = "5",
pages = "745--753",
month = may,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190505",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hunter:1981:NWF,
author = "Geoffrey Hunter",
title = "Nodeless wave functions and spiky potentials",
journal = j-IJQC,
volume = "19",
number = "5",
pages = "755--761",
month = may,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190506",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dmitriev:1981:CPT,
author = "Yu. Dmitriev and G. Peinel",
title = "Coupled perturbation theory within the antisymmetrized
product of separated geminals ({APSG}) framework",
journal = j-IJQC,
volume = "19",
number = "5",
pages = "763--769",
month = may,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190507",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Moffat:1981:SSE,
author = "J. B. Moffat",
title = "Structures, stabilities, and energies of isomerization
of some alkyl cyanides and isocyanides and their
corresponding $\alpha$-cyanocarbonium and
$\alpha$-isocyanocarbonium ions",
journal = j-IJQC,
volume = "19",
number = "5",
pages = "771--779",
month = may,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190508",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tyrrell:1981:BAA,
author = "J. Tyrrell and R. B. Weinstock and F. Weinhold",
title = "Bond--antibond analysis of internal rotation barriers
in glyoxal and related molecules: {Where INDO} fails",
journal = j-IJQC,
volume = "19",
number = "5",
pages = "781--791",
month = may,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190509",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Stepanov:1981:UTU,
author = "N. F. Stepanov",
title = "Unitary transformations with the unitary operators
depending on projection operators",
journal = j-IJQC,
volume = "19",
number = "5",
pages = "793--803",
month = may,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190510",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hilal:1981:TDDa,
author = "Rifaat Hilal",
title = "Thermal dissociation of 1,2-dioxethane. {I}. {Charge}
density distribution along the reaction path and in
different {HF} solutions",
journal = j-IJQC,
volume = "19",
number = "5",
pages = "805--819",
month = may,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190511",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hilal:1981:TDDb,
author = "Rifaat Hilal",
title = "Thermal dissociation of 1,2-dioxethane. {II}.
{Quantum} topology of the charge distributions",
journal = j-IJQC,
volume = "19",
number = "5",
pages = "821--831",
month = may,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190512",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hilal:1981:TDDc,
author = "Rifaat Hilal",
title = "Thermal dissociation of 1,2-dioxethane. {III}.
{Localized} molecular-orbital study",
journal = j-IJQC,
volume = "19",
number = "5",
pages = "833--845",
month = may,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190513",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Grelland:1981:LEA,
author = "Hans H. Grelland",
title = "$n$-{Local} energies as accuracy measures on
approximate wave functions",
journal = j-IJQC,
volume = "19",
number = "5",
pages = "847--857",
month = may,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190514",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Singh:1981:DNJ,
author = "Jai Singh",
title = "Dynamic nonlinear {Jahn--Teller} effect of the type
{$E\otimes\epsilon$}",
journal = j-IJQC,
volume = "19",
number = "5",
pages = "859--871",
month = may,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190515",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Grelland:1981:ERA,
author = "Hans H. Grelland",
title = "An {Einstein} relativistic atomic and molecular model
based on the {Horwitz--Piron--Reuse} theory",
journal = j-IJQC,
volume = "19",
number = "5",
pages = "873--883",
month = may,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190516",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Muller:1981:UIN,
author = "Jiri M{\"u}ller",
title = "Use of iterative natural orbital method for
calculating energy barrier to predissociation of the
first excited states of {NH$_3$ (3s$^{1, 3}$
A$^{\prime\prime}_2$)}",
journal = j-IJQC,
volume = "19",
number = "5",
pages = "885--889",
month = may,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190517",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lipinski:1981:GOS,
author = "J{\'o}zef Lipi{\'n}ski and Henryk Chojnacki",
title = "Ghost orbitals in semiempirical methods. {Estimation}
of basis set superposition error",
journal = j-IJQC,
volume = "19",
number = "5",
pages = "891--900",
month = may,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190518",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Atabek:1981:MQS,
author = "O. Atabek and R. Lefebvre",
title = "Multichannel quantization and the static {Stark}
effect",
journal = j-IJQC,
volume = "19",
number = "5",
pages = "901--906",
month = may,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190519",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Daudey:1981:ACE,
author = "J. P. Daudey and M. Berrondo",
title = "Atomic calculations with an effective one-body
potential",
journal = j-IJQC,
volume = "19",
number = "5",
pages = "907--927",
month = may,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190520",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mekenyan:1981:ACB,
author = "Ov. Mekenyan and D. Bonchev and N. Trinajsti{\'c}",
title = "Algebraic characterization of bridged polycyclic
compounds",
journal = j-IJQC,
volume = "19",
number = "5",
pages = "929--955",
month = may,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190521",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Csavinszky:1981:TPD,
author = "P. Csavinszky and R. A. Morrow",
title = "Theory of the potential of a donor ion in silicon",
journal = j-IJQC,
volume = "19",
number = "5",
pages = "957--966",
month = may,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190522",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Castro:1981:SCA,
author = "Eduardo A. Castro and Francisco M. Fern{\'a}ndez",
title = "Some comments about the effective utilization of
off-diagonal hypervirial relations considering the
diagonal hypervirial relation: {Harmonic} oscillator
case",
journal = j-IJQC,
volume = "19",
number = "5",
pages = "967--968",
month = may,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190523",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Wold:1981:BRB,
author = "Svante Wold",
title = "Book Review: {{\booktitle{Factor analysis in
chemistry}}. E. R. Malinowski and D. G. Howery.
Wiley-Interscience, New York, 1980. 250 pp., Price:
\$26.25}",
journal = j-IJQC,
volume = "19",
number = "5",
pages = "969--969",
month = may,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190524",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See
\cite{Malinowski:1980:FAC,Malinowski:1989:FAC,Malinowski:1991:FAC,Malinowski:2002:FAC}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1981:Md,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "19",
number = "5",
pages = "fmi--fmii",
month = may,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190501",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:36 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1981:P,
author = "Per-Olov L{\"o}wdin",
title = "Preface",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "973--973",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190602",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{DelRe:1981:I,
author = "Giuseppe {Del Re}",
title = "Introduction",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "975--976",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190603",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mangoni:1981:OS,
author = "Lorenzo Mangoni",
title = "Opening statement",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "977--977",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190604",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{DelRe:1981:BUN,
author = "Giuseppe {Del Re}",
title = "Binding: a unifying notion or a pseudoconcept?",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "979--984",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190605",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Berthier:1981:CSC,
author = "G. Berthier",
title = "Comments on the status of the chemical bond in methods
of quantum chemistry",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "985--989",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190606",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lafourcade:1981:ICB,
author = "L. Lafourcade",
title = "Importance of the concept of bond and binding in the
physical chemistry of solids",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "991--1000",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190607",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cianetti:1981:RTB,
author = "Elvio Cianetti",
title = "Remarks on technology and bonding",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1001--1002",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190608",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ciambelli:1981:BTF,
author = "Paolo Ciambelli",
title = "``Binding'' technology and fundamental research:
{Some} cases in catalysis",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1003--1010",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190609",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Wedler:1981:EEC,
author = "G. Wedler",
title = "Experimental evidence on the chemisorption bond with
the chemisorption on metals",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1011--1016",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190610",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kern:1981:EEC,
author = "R. Kern",
title = "Experimental evidence on the chemisorption bond of
two- and one-dimensional boundaries",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1017--1025",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190611",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Wedler:1981:IAH,
author = "G. Wedler and W. Draxler",
title = "Influence of the adsorption of hydrogen on the
transport properties of thin nickel films",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1027--1030",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190612",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Laforgue-Kantzer:1981:SIN,
author = "D. Laforgue-Kantzer",
title = "State of ions near a cathode: {Adions} or adatoms?",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1031--1041",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190613",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Iadonisi:1981:PAC,
author = "G. Iadonisi and V. Marigliano Ramaglia and B.
Preziosi",
title = "Physical approach to chemisorption through {Green}'s
function method",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1043--1056",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190614",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Barbier:1981:BPF,
author = "C. Barbier and C. Vincent and G. {Del Re}",
title = "Bond polarization in the {FeCO} system:
{Semiempirical} {MO--SCF} ({BMV}) calculations",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1057--1063",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190615",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Borello:1981:MCS,
author = "E. Borello",
title = "Metal clusters and surfaces",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1065--1081",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190616",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Seel:1981:MCO,
author = "M. Seel",
title = "From molecular crystals and organic polymers to
chemisorption processes: {Importance} of local
interactions",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1083--1098",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190617",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Martin:1981:MIC,
author = "T. P. Martin",
title = "Matrix isolated clusters and microcrystals",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1099--1103",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190618",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Andre:1981:SAB,
author = "J. M. Andr{\'e} and J. L. Br{\'e}das and J.
Delhalle",
title = "Some aspects of bonding and binding in polymeric
chains",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1105--1111",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190619",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Karpfen:1981:HBC,
author = "A. Karpfen and A. Beyer and P. Schuster",
title = "Hydrogen bonding in clusters and molecular crystals",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1113--1119",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190620",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Peters:1981:SRD,
author = "David Peters and Jane Peters",
title = "Some recent developments in the quantum theory of
hydrogen bonding and other effects in proteins",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1121--1132",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190621",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Careri:1981:MAH,
author = "G. Careri and A. Giansanti and E. Gratton",
title = "Molecular aspects of the hydration process in a
globular protein",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1133--1135",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190622",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Barone:1981:RBH,
author = "G. Barone",
title = "Relations between the hydration and the intermolecular
or intramolecular solute--solute interactions",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1137--1138",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190623",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bonapasta:1981:PES,
author = "A. Amore Bonapasta and M. Bossa and A. Lapiccirella",
title = "Potential energy surface of the system {CO} + {O}:
{An} ab initio study on the {O CO} bond formation",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1139--1145",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190624",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sandorfy:1981:RSC,
author = "C. Sandorfy",
title = "{Rydberg} states in chemistry",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1147--1156",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190625",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sbrana:1981:SPT,
author = "G. Sbrana and L. Angeloni and S. Panerai",
title = "Spectroscopic properties of {TCNQ--bifluorenylidene}
1:1 complex",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1157--1160",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190626",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bertoluzza:1981:CBS,
author = "A. Bertoluzza and A. Marinangeli and M. A. Morelli and
R. Simoni",
title = "Correlations between structure and properties of
materials. {X}. {Anomalous} optical properties and
{Raman} spectra of glassy ternary
{B$_2$O$_3$BaTiO$_3$\bond{}Na$_2$O} materials",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1161--1165",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190627",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bertholon:1981:GCB,
author = "G. Bertholon and C. Decoret and M. Perrin and J. Royer
and A. Thozet and B. Tinland",
title = "Geometries of the chemical bonds around the hydroxyl
group in a series of phenolic compounds",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1167--1170",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190628",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Serre:1981:MMB,
author = "Josiane Serre",
title = "Metal--metal bonds",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1171--1183",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190629",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Garbato:1981:BMS,
author = "L. Garbato and P. Manca and G. Mula",
title = "Bond model for semiconducting materials",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1185--1189",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190630",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Garbato:1981:DSB,
author = "L. Garbato and P. Manca and A. Spiga",
title = "Diamagnetism as a structure and bonding related
property in semiconductors",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1191--1196",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190631",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Barone:1981:NAU,
author = "Vincenzo Barone and Francesco Lelj and Nino Russo",
title = "Nonempirical analysis of unusual chemical bonds. {II}.
{AlH$_2$BH$_4$} and {AlH$_2$C$_3$H$_5$}",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1197--1201",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190632",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Aasbrink:1981:CBM,
author = "L. {\AA}sbrink and C. Fridh and E. Lindholm",
title = "Concept of bond in the {MO} method {HAM}",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1203--1206",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190633",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Karpfen:1981:CPI,
author = "Alfred Karpfen",
title = "Convergence problem in ab initio crystal orbital
calculations",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1207--1214",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190634",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mestechkin:1981:E,
author = "M. M. Mestechkin",
title = "Erratum",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "1221--1221",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190635",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1981:Me,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "19",
number = "6",
pages = "fmi--fmii",
month = jun,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560190601",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gupta:1981:DCP,
author = "V. D. Gupta",
title = "Dynamics and conformation of polypeptides",
journal = j-IJQC,
volume = "20",
number = "1",
pages = "9--21",
month = jul,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200102",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hosur:1981:PNA,
author = "Ramakrishna V. Hosur and N. Vasanth Kumar and Girjesh
Govil",
title = "Protein--Nucleic acid interactions: {Investigations}
on the peptide backbone interaction with
polynucleotides",
journal = j-IJQC,
volume = "20",
number = "1",
pages = "23--32",
month = jul,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200103",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hosur:1981:PBI,
author = "Ramakrishna V. Hosur and A. Pohorille",
title = "Protein backbone interaction with nucleic acid base
pairs: a theoretical investigation",
journal = j-IJQC,
volume = "20",
number = "1",
pages = "33--40",
month = jul,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200104",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Montenay-Garestier:1981:CFB,
author = "T. Montenay-Garestier and J. C. Brochon and C.
H{\'e}l{\`e}ne",
title = "Complex formation between tryptophan-containing
peptides and nucleic acids: {Fluorescence} decay
studies using synchrotron radiation",
journal = j-IJQC,
volume = "20",
number = "1",
pages = "41--48",
month = jul,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200105",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lavery:1981:SAR,
author = "Richard Lavery and Alberte Pullman and Bernard
Pullman",
title = "Steric accessibility of reactive centers in {B-DNA}",
journal = j-IJQC,
volume = "20",
number = "1",
pages = "49--62",
month = jul,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200106",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sanyal:1981:SSI,
author = "Nitish K. Sanyal and Mihir Roychoudhury",
title = "Studies in some important aspects of {RNA}
transcription on the basis of intermolecular energy
calculations",
journal = j-IJQC,
volume = "20",
number = "1",
pages = "63--69",
month = jul,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200107",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Durani:1981:PBS,
author = "S. Durani and Nitya Anand",
title = "A possible basis for structure--function relationship
of estrogens",
journal = j-IJQC,
volume = "20",
number = "1",
pages = "71--83",
month = jul,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200108",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Phadke:1981:SFP,
author = "Ratna S. Phadke and N. Vasanth Kumar and R. V. Hosur
and Anil Saran and Girjesh Govil",
title = "Structure and function of propranolol: a
$\beta$-adrenergic blocking drug",
journal = j-IJQC,
volume = "20",
number = "1",
pages = "85--92",
month = jul,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200109",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lala:1981:CPM,
author = "Anil K. Lala",
title = "Cholesterol and phospholipids in membranes: {The}
hydrogen bonding problem",
journal = j-IJQC,
volume = "20",
number = "1",
pages = "93--97",
month = jul,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200110",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Biswas:1981:CAS,
author = "Margaret Biswas and V. S. R. Rao",
title = "Conformational analysis of some mannose-containing and
milk oligosaccharides: {Correlation} of their shape
with inhibitory properties in antigen\slash antibody
interactions",
journal = j-IJQC,
volume = "20",
number = "1",
pages = "99--121",
month = jul,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200111",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kumar:1981:EMS,
author = "Kamal Kumar and Mahesh C. Bindal and Prithvi Singh and
Satya P. Gupta",
title = "Effect of molecular size on carbonic anhydrase
inhibition by sulfonamides",
journal = j-IJQC,
volume = "20",
number = "1",
pages = "123--129",
month = jul,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200112",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Seydel:1981:MAQ,
author = "J. K. Seydel",
title = "Mode of action and quantitative structure--activity
relationship of sulfonamides in biological systems of
different complexity (enzymes, bacteria, rat, and
human)",
journal = j-IJQC,
volume = "20",
number = "1",
pages = "131--150",
month = jul,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200113",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Raghunathan:1981:SAR,
author = "S. Raghunathan and Vasantha Pattabhi",
title = "Structure--Activity relationships in auxins",
journal = j-IJQC,
volume = "20",
number = "1",
pages = "151--158",
month = jul,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200114",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sanyal:1981:BAN,
author = "Nitish K. Sanyal and Mihir Roychoudhury and Rajendra
P. Ojha",
title = "Biological activity of the nucleoside analogs: a
theoretical study",
journal = j-IJQC,
volume = "20",
number = "1",
pages = "159--166",
month = jul,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200115",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kothekar:1981:SMM,
author = "V. Kothekar",
title = "Specificity and molecular mechanism of abortificient
action of prostaglandins",
journal = j-IJQC,
volume = "20",
number = "1",
pages = "167--178",
month = jul,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200116",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sanyal:1981:IES,
author = "Nitish K. Sanyal and Upendra Kumar and Mihir
Roychoudhury",
title = "Interaction energy studies for the specificity of
transcription",
journal = j-IJQC,
volume = "20",
number = "1",
pages = "179--183",
month = jul,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200117",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ghosh:1981:EBS,
author = "Subhendu Ghosh and Anjali Mookerjee",
title = "Estimation of binding sites from the adsorption
profile of complexed {DNA}",
journal = j-IJQC,
volume = "20",
number = "1",
pages = "185--198",
month = jul,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200118",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kannan:1981:SRF,
author = "K. K. Kannan and M. Ramanadham",
title = "Structure, refinement, and function of human carbonic
anhydrase-{B}",
journal = j-IJQC,
volume = "20",
number = "1",
pages = "199--209",
month = jul,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200119",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jayaraman:1981:PPL,
author = "S. Jayaraman and N. Yathindra",
title = "Probing possible left- and right-handed
poly(dinucleotide) helical conformations from (n--h)
plots. models for polysequential nucleotides",
journal = j-IJQC,
volume = "20",
number = "1",
pages = "211--230",
month = jul,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200120",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sokalski:1981:TME,
author = "W. Andrzej Sokalski",
title = "Theoretical model for exploration of catalytic
activity of enzymes and design of new catalysts:
{CO$_2$} hydration reaction",
journal = j-IJQC,
volume = "20",
number = "1",
pages = "231--240",
month = jul,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200121",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Malathi:1981:VBP,
author = "R. Malathi and N. Yathindra",
title = "Virtual bond probe to study ordered and random coil
conformations of nucleic acids",
journal = j-IJQC,
volume = "20",
number = "1",
pages = "241--257",
month = jul,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200122",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lavery:1981:MEP,
author = "Richard Lavery and Bernard Pullman",
title = "Molecular electrostatic potential on the surface
envelopes of macromolecules: {B-DNA}",
journal = j-IJQC,
volume = "20",
number = "1",
pages = "259--272",
month = jul,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200123",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rao:1981:CME,
author = "Gita Subba Rao and R. S. Tyagi and R. K. Mishra",
title = "Calculation of the minimum energy conformation of
acetylcholine using a global optimization technique",
journal = j-IJQC,
volume = "20",
number = "1",
pages = "273--279",
month = jul,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200124",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1981:Mf,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "20",
number = "1",
pages = "fmi--fmii",
month = jul,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200101",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Marchenko:1981:DDR,
author = "T. V. Marchenko and V. M. Lipkin and O. Yu. Chertov
and E. D. Sverdlov and Yu. A. Ovchinnikov",
title = "{DNA}-dependent {RNA} polymerase from {{\em E. coli}}:
{Structure} investigation",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "283--289",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200202",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Grishin:1981:SFB,
author = "E. V. Grishin",
title = "Structure and function of {{\em Buthus eupeus}}
scorpion neurotoxins",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "291--298",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200203",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Langlet:1981:IBN,
author = "J. Langlet and P. Claverie and F. Caron and J. C.
Boeuve",
title = "Interactions between nucleic acid bases in hydrogen
bonded and stacked configurations: {The} role of the
molecular charge distribution",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "299--338",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200204",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chojnacki:1981:PEC,
author = "Henryk Chojnacki and J{\'o}zef Lipi{\'n}ski and W.
Andrzej Sokalski",
title = "Potential energy curves in complementary base pairs
and in model hydrogen bonded systems",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "339--346",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200205",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Balaji:1981:ECH,
author = "V. N. Balaji",
title = "Energy calculations on helical polypeptides:
{Structure} of polyglycine {II}",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "347--356",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200206",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Saran:1981:MOS,
author = "Anil Saran and Lalit N. Patnaik",
title = "Molecular orbital studies on nucleoside antibiotics.
{IV}. conformation of 3'-deoxyadenosine (cordycepin)
and 3'-amino-3'-deoxyadenosine",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "357--367",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200207",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pedersen:1981:SST,
author = "C. Th. Pedersen and J. Oddershede and J. R. Sabin",
title = "Semiempirical studies on 1,2- and
1,3-tetrathiofulvalenes",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "369--371",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200208",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gupta:1981:SMP,
author = "V. P. Gupta and V. D. Gupta and C. Mehrotra",
title = "Study of molecular polarizabilities of some amino and
polyamino acids",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "373--376",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200209",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mishra:1981:VWF,
author = "R. K. Mishra and K. Bhaumik and A. Srivastava and S.
S. Chaudhary",
title = "{Van der Waals} force between two localized clusters
of bosons",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "377--383",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200210",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Soni:1981:STP,
author = "M. L. Soni and R. C. Kapoor",
title = "Some thermodynamic parameters for hydroxy amino acids:
{Bicine} and tricine",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "385--391",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200211",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Yamaguchi:1981:TSP,
author = "Kizashi Yamaguchi",
title = "Theoretical studies of photo-oxidative cleavage
reactions of nitrogen-activated {C\doublebond{}C}
double bonds of enamines, indoles, and tryptamines",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "393--406",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200212",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bansal:1981:SFC,
author = "Manju Bansal and Goutam Gupta",
title = "Structure factor calculations of various {DNA}
duplexes",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "407--417",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200213",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jain:1981:BLD,
author = "D. V. S. Jain and Vijay Gombar",
title = "Binding of leucomycin and its derivatives to {{\em E.
coli}} ribosomes",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "419--427",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200214",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lukovits:1981:CSD,
author = "I. Lukovits",
title = "Comparative studies on drug-receptor binding of
phenylethylamine derivatives using calculated group
contribution constants",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "429--438",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200215",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Saran:1981:CNA,
author = "Anil Saran",
title = "Conformation of nucleoside antibiotics",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "439--447",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200216",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chidambaram:1981:NES,
author = "R. Chidambaram",
title = "Neutron elastic scattering studies of biological
molecules and complexes",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "449--459",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200217",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ovchinnikov:1981:IC,
author = "Yu. A. Ovchinnikov",
title = "Ionophores and channels",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "461--478",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200218",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Varma:1981:SLE,
author = "Shambhu D. Varma",
title = "Superoxide and lens of the eye: a new theory of
cataractogenesis",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "479--484",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200219",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Khetrapal:1981:ANO,
author = "C. L. Khetrapal",
title = "Application of {NMR} of oriented systems in
biochemistry and biophysics",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "485--494",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200220",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Das:1981:ECW,
author = "Sudipto Das and Gaurishanker Singhal",
title = "Effect of change of water structure on the phase
transition of liposomes of dipalmitoyl
phosphatidylcholine",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "495--504",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200221",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Seydel:1981:ALM,
author = "U. Seydel and B. Lindner",
title = "Application of the laser microprobe mass analyzer
({LAMMA}) to qualitative and quantitative single cell
analysis",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "505--512",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200222",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Myer:1981:CCA,
author = "Yash P. Myer and A. Pande and J. Pande and K. K.
Thallam and A. F. Saturno and Balbir C. Verma",
title = "Cytochrome c: {Ascorbate} reduction site and possible
electron-transfer path",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "513--521",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200223",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gurnani:1981:ITL,
author = "S. Gurnani and G. Datta and N. B. Mulchandani and G.
Sen and S. K. Mehta and S. Sengupta",
title = "Interaction of tylophorinidine with lysozyme",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "523--531",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200224",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tatake:1981:SET,
author = "V. G. Tatake",
title = "Significance of the electron trap parameters of glow
curves of photosynthetic membranes",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "533--541",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200225",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Psoda:1981:IMB,
author = "Anna Psoda and B. Kierdaszuk and A. Pohorille and M.
Geller and J. T. Kusmierek and D. Shugar",
title = "Interaction of the mutagenic base analogs
{O$^6$}-methylguanine and {N$^4$}-hydroxycytosine with
potentially complementary bases",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "543--554",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200226",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Talekar:1981:MCB,
author = "Manjubala S. Talekar and Subhash V. Talekar",
title = "Mechanism of chromosome banding: a phenomenological
approach",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "555--566",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200227",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Panda:1981:ATL,
author = "B. C. Panda",
title = "Active transport in the light of thermodynamics of
open systems",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "567--571",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200228",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Shugar:1981:TPP,
author = "David Shugar and Krystyna Szcz{\k{e}}{\'s}niak",
title = "Tautomerism of pyrimidines and purines in the gas
phase and in low-temperature matrices, and some
biological implications",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "573--585",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200229",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1981:Aa,
author = "Anonymous",
title = "Announcements",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "589--590",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200230",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1981:Mg,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "20",
number = "2",
pages = "fmi--fmii",
month = aug,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200201",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:37 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Modrak:1981:CDS,
author = "P. Modrak",
title = "Calculation of the density of states of tight-binding
$d$ band for simple cubic lattice",
journal = j-IJQC,
volume = "20",
number = "3",
pages = "591--600",
month = sep,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200302",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Radzio-Andzelm:1981:III,
author = "El{\.z}bieta Radzio-Andzelm",
title = "Investigation of intermolecular interactions based on
the atomic statistical model",
journal = j-IJQC,
volume = "20",
number = "3",
pages = "601--612",
month = sep,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200303",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Prasad:1981:ILP,
author = "C. V. Prasad and K. Sundaram",
title = "Impact of lone pairs on the conformation and
configuration statistics of poly(lactic acid) chains",
journal = j-IJQC,
volume = "20",
number = "3",
pages = "613--621",
month = sep,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200304",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fernandez:1981:HAEc,
author = "Francisco M. Fern{\'a}ndez and Eduardo A. Castro",
title = "Hypervirial analysis of enclosed quantum mechanical
systems. {III}. {Unsymmetrical} boundary conditions",
journal = j-IJQC,
volume = "20",
number = "3",
pages = "623--632",
month = sep,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200305",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kobeissi:1981:EEF,
author = "Hafez Kobeissi and Mounzer Dagher and Mohamad Adel
Alameddine",
title = "Explicit expression of the {Franck--Condon} factors in
terms of the potentials of the two states",
journal = j-IJQC,
volume = "20",
number = "3",
pages = "633--644",
month = sep,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200306",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hariharan:1981:MCN,
author = "P. C. Hariharan and Herbert E. Popkie and Joyce J.
Kaufman",
title = "Molecular calculations with the nonempirical ab initio
{MODPOT}, {VRDDO}, and {MODPOT\slash VRDDO} procedures.
{XII}. {Carcinogenic} 3-methylcholanthrene and its
metabolites using a {MERGE} technique",
journal = j-IJQC,
volume = "20",
number = "3",
pages = "645--653",
month = sep,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200307",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Almlof:1981:TES,
author = "J. Alml{\"o}f and A. V. Nemukhin and A. Heiberg",
title = "Treatment of excited states in the {CASSCF} method:
{Application} to {BO}",
journal = j-IJQC,
volume = "20",
number = "3",
pages = "655--667",
month = sep,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200308",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kluge:1981:CES,
author = "G. Kluge and M. Scholz",
title = "Chemistry of excited states. {XI}. {Interpretation} of
photoelectron spectra by final state single {CI} method
within semiempirical formalisms",
journal = j-IJQC,
volume = "20",
number = "3",
pages = "669--682",
month = sep,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200309",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Beleznay:1981:IBP,
author = "F. Beleznay and S. Suhai and J. Ladik",
title = "Interaction between polymers: {Dispersion} energy of
two infinite linear chains",
journal = j-IJQC,
volume = "20",
number = "3",
pages = "683--692",
month = sep,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200310",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Marini:1981:RTB,
author = "U. Marini and Bettolo Marconi and N. H. March",
title = "Relativistic theory of binding energies of heavy
positive ions",
journal = j-IJQC,
volume = "20",
number = "3",
pages = "693--704",
month = sep,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200311",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tantardini:1981:IVB,
author = "Gian Franco Tantardini and Massimo Simonetta",
title = "Ab initio valence bond calculations. {XI}. {Pyridine}:
{Ground} and ionized states",
journal = j-IJQC,
volume = "20",
number = "3",
pages = "705--715",
month = sep,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200312",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tatum:1981:CCK,
author = "J. Patrick Tatum",
title = "Calculations concerning {Kato}'s equations",
journal = j-IJQC,
volume = "20",
number = "3",
pages = "717--745",
month = sep,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200313",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sudhindra:1981:IIP,
author = "B. S. Sudhindra and J.-H. Fuhrhop",
title = "Intermolecular interactions in porphin dimers: a
quantum mechanical study",
journal = j-IJQC,
volume = "20",
number = "3",
pages = "747--753",
month = sep,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200314",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sapse:1981:ISS,
author = "Anne Marie Sapse and Grace Snyder and Angelo V.
Santoro",
title = "Ab initio {SCF} study of guanidine and substituted
guanidines",
journal = j-IJQC,
volume = "20",
number = "3",
pages = "755--762",
month = sep,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200315",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Maric:1981:GRM,
author = "Z. Mari{\'c} and M. Popovi{\'c}-Bo{\v{z}}i{\'c} and Z.
Nikolovski",
title = "Generalized {Racah} method for the evaluation of {CFP}
for mixed electronic configurations",
journal = j-IJQC,
volume = "20",
number = "3",
pages = "763--774",
month = sep,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200316",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1981:AQT,
author = "Per-Olov L{\"o}wdin",
title = "Addendum to {``Quantum} theory as a trace algebra''",
journal = j-IJQC,
volume = "20",
number = "3",
pages = "775--776",
month = sep,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200317",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Wormer:1981:NMP,
author = "P. E. S. Wormer",
title = "Note on the {Matsen} and {Pauncz} proof of the
{S$_n$-U(n)} duality",
journal = j-IJQC,
volume = "20",
number = "3",
pages = "777--778",
month = sep,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200318",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Simons:1981:SMR,
author = "Jack Simons",
title = "The {Siegert} methods in resonance scattering:
{Relation} to {L$^2$} methods",
journal = j-IJQC,
volume = "20",
number = "3",
pages = "779--780",
month = sep,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200319",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1981:Mh,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "20",
number = "3",
pages = "fmi--fmii",
month = sep,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200301",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Thuraisingham:1981:ECC,
author = "R. A. Thuraisingham and G. Bandarage",
title = "Explicitly correlated configuration interaction wave
functions for the {He} atom using correlated
{Gaussians}",
journal = j-IJQC,
volume = "20",
number = "4",
pages = "781--783",
month = oct,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200402",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hofmann:1981:CHS,
author = "Hans-J{\"o}rg Hofmann and Gustav Peinel and Christine
Krebs and Cornelius Weiss",
title = "Construction of hydration shells for the tautomeric
forms of heterocycles based on electrostatic
potentials",
journal = j-IJQC,
volume = "20",
number = "4",
pages = "785--792",
month = oct,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200403",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ang:1981:RCE,
author = "M. H. Ang and K. Yates and I. G. Csizmadia and R.
Daudel",
title = "Relationship of correlation energy and size",
journal = j-IJQC,
volume = "20",
number = "4",
pages = "793--806",
month = oct,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200404",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Raina:1981:EDE,
author = "V. Raina and K. V. Sane and R. P. Saxena and P. K.
Srivastava",
title = "Estimation of dissociation energy of alkali diatomics
using an extended {Linderberg} relation",
journal = j-IJQC,
volume = "20",
number = "4",
pages = "807--816",
month = oct,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200405",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Roeggen:1981:ECD,
author = "I. R{\o}eggen",
title = "Electron correlation described by an extended geminal
model",
journal = j-IJQC,
volume = "20",
number = "4",
pages = "817--833",
month = oct,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200406",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Moiseyev:1981:SPR,
author = "Nimrod Moiseyev",
title = "Study of predissociation resonances by the complex
coordinate method",
journal = j-IJQC,
volume = "20",
number = "4",
pages = "835--842",
month = oct,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200407",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kashiwagi:1981:IMO,
author = "Hiroshi Kashiwagi and Shigeru Obara",
title = "Ab initio molecular orbital calculation of
{Fe}-porphine with a double zeta basis set",
journal = j-IJQC,
volume = "20",
number = "4",
pages = "843--859",
month = oct,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200408",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Matsen:1981:SFQ,
author = "F. A. Matsen and C. J. Nelin",
title = "Spin-Free quantum chemistry. {XXII}.
{Multiconfiguration} self-consistent field theory",
journal = j-IJQC,
volume = "20",
number = "4",
pages = "861--878",
month = oct,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200409",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Scheire:1981:MSX,
author = "L. Scheire and R. Rotthier and P. Phariseau",
title = "{MSW--SCF--X$\alpha$} studies of some silicon
compounds. {I}. {Iminosilicon (HNSi)}",
journal = j-IJQC,
volume = "20",
number = "4",
pages = "879--885",
month = oct,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200410",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bhattacharyya:1981:LBR,
author = "Kamal Bhattacharyya and Sankar Prasad Bhattacharyya",
title = "Limiting behavior of the ratio of $<r_{12}^{-1}>$ and
$<r_1^{-1}>$ in the helium sequence",
journal = j-IJQC,
volume = "20",
number = "4",
pages = "887--889",
month = oct,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200411",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Oriade:1981:PBS,
author = "Joseph Oladipo Oriade",
title = "Positron band structures for beryllium",
journal = j-IJQC,
volume = "20",
number = "4",
pages = "891--896",
month = oct,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200412",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Matsuoka:1981:MCM,
author = "Osamu Matsuoka",
title = "Methods of composite molecular wave functions. {I}.
{Variational} principle and multiconfiguration {SCF}
theory",
journal = j-IJQC,
volume = "20",
number = "4",
pages = "897--908",
month = oct,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200413",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Facelli:1981:IHO,
author = "J. C. Facelli and R. H. Contreras",
title = "Inclusion of hydrogen $p$ orbitals in the
semiempirical calculation of {NMR} parameters. {III}:
{INDO CHF} calculations of orbital and dipolar
contributions to spin--spin coupling constants
involving protons",
journal = j-IJQC,
volume = "20",
number = "4",
pages = "909--919",
month = oct,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200414",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Romano:1981:MCS,
author = "Silvano Romano",
title = "{Monte-Carlo} simulation of water solvent with
biomolecules: {Serines} with reaction-field
correction",
journal = j-IJQC,
volume = "20",
number = "4",
pages = "921--926",
month = oct,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200415",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Wilson:1981:SLP,
author = "R. G. Wilson and C. S. Sharma",
title = "Studies in {L{\"o}wdin}'s partitioning technique in
quantum theory. {I}. {Invertibility} of the operator
{K}",
journal = j-IJQC,
volume = "20",
number = "4",
pages = "927--932",
month = oct,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200416",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{DaCunhaLima:1981:SCAb,
author = "I. C. {Da Cunha Lima} and A. Ferreira {Da Silva} and
N. J. Parada",
title = "Self-Consistent {APW}--$k \cdot p$ method. {II}.
{Application} to {NaCl}",
journal = j-IJQC,
volume = "20",
number = "4",
pages = "933--949",
month = oct,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200417",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Michels:1981:EAI,
author = "M. A. J. Michels",
title = "Evaluation of angular integrals in rotational
invariants",
journal = j-IJQC,
volume = "20",
number = "4",
pages = "951--952",
month = oct,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200418",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mukerjee:1981:SEM,
author = "Nirad Gopal Mukerjee and Pratip Ray",
title = "Simplification of an earlier {MCSCF} procedure for
{CI} expansions involving orbital excitations",
journal = j-IJQC,
volume = "20",
number = "4",
pages = "953--953",
month = oct,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200419",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1981:Mi,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "20",
number = "4",
pages = "fmi--fmii",
month = oct,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200401",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fukutome:1981:UHF,
author = "Hideo Fukutome",
title = "Unrestricted {Hartree--Fock} theory and its
applications to molecules and chemical reactions",
journal = j-IJQC,
volume = "20",
number = "5",
pages = "955--1065",
month = nov,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200502",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Raghavachari:1981:COE,
author = "Krishnan Raghavachari and John A. Pople",
title = "Calculation of one-electron properties using limited
configuration interaction techniques",
journal = j-IJQC,
volume = "20",
number = "5",
pages = "1067--1071",
month = nov,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200503",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ganas:1981:EIE,
author = "P. S. Ganas",
title = "Electron impact excitation cross sections for {O II}",
journal = j-IJQC,
volume = "20",
number = "5",
pages = "1073--1076",
month = nov,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200504",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ho:1981:IHC,
author = "Y. K. Ho",
title = "Improved {Hylleraas} calculations for ground state
energies of lithium {ISO--electronic} sequence",
journal = j-IJQC,
volume = "20",
number = "5",
pages = "1077--1082",
month = nov,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200505",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hariharan:1981:EMP,
author = "P. C. Hariharan and Joyce J. Kaufman and Carlo
Petrongolo",
title = "Electrostatic molecular potential contour maps
generated from ab initio {MODPOT\slash VRDDO\slash
MERGE} wave functions of carcinogenic
3-methylcholanthrene and its metabolites",
journal = j-IJQC,
volume = "20",
number = "5",
pages = "1083--1095",
month = nov,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200506",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lochmann:1981:MEP,
author = "R. Lochmann and G. Peinel and T. Weller",
title = "Molecular electrostatic potentials from {PCILO} wave
functions",
journal = j-IJQC,
volume = "20",
number = "5",
pages = "1097--1105",
month = nov,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200507",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Moskowitz:1981:NLC,
author = "Jules W. Moskowitz and M. H. Kalos",
title = "A new look at correlations in atomic and molecular
systems. {I}. {Application} of fermion {Monte Carlo}
variational method",
journal = j-IJQC,
volume = "20",
number = "5",
pages = "1107--1119",
month = nov,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200508",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{DalCappello:1981:CPE,
author = "C. {Dal Cappello} and C. Tavard",
title = "{Compton} profiles for ejected electrons:
{Determination} of momentum densities",
journal = j-IJQC,
volume = "20",
number = "5",
pages = "1121--1125",
month = nov,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200509",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Oliveira:1981:MXM,
author = "P. Murilo Oliveira and B. Maffeo",
title = "{MS X$_\alpha$} method and transition-state
procedure",
journal = j-IJQC,
volume = "20",
number = "5",
pages = "1127--1139",
month = nov,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200510",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1981:Mj,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "20",
number = "5",
pages = "fmi--fmii",
month = nov,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200501",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bozovic:1981:PSA,
author = "I. B. Bo{\v{z}}ovi{\'c} and J. Delhalle and M.
Damnjanovi{\'c}",
title = "A posteriori symmetry analysis of polymer electronic
band structures",
journal = j-IJQC,
volume = "20",
number = "6",
pages = "1143--1163",
month = dec,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200602",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{PrasadBhattacharyya:1981:HTO,
author = "Sankar PrasadBhattacharyya and Debashis Mukherjee",
title = "A hybrid technique of orthonormality constrained
orbital optimization in {SCF} calculations",
journal = j-IJQC,
volume = "20",
number = "6",
pages = "1165--1177",
month = dec,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200603",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Luzanov:1981:SSP,
author = "A. V. Luzanov and G. E. Whyman",
title = "Structure and spin-purity conditions for reduced
density matrices of arbitrary order",
journal = j-IJQC,
volume = "20",
number = "6",
pages = "1179--1199",
month = dec,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200604",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1981:SDC,
author = "Per--olov L{\"o}wdin and Jean--Louis Calais and
Jacques M. Calazans",
title = "Simple derivation of conditions for instability in the
{Hartree--Fock} and projected {Hartree--Fock} schemes",
journal = j-IJQC,
volume = "20",
number = "6",
pages = "1201--1215",
month = dec,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200605",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jones:1981:CGFa,
author = "Herbert W. Jones",
title = "Computer-generated formulas for two-center {Coulomb}
integrals over {Slater}-type orbitals",
journal = j-IJQC,
volume = "20",
number = "6",
pages = "1217--1224",
month = dec,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200606",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Solmajer:1981:CIA,
author = "T. {\v{S}}olmajer and D. Kocjan and D. Had{\v{z}}i",
title = "Catecholamine interaction with anionic {sites---A}
model study",
journal = j-IJQC,
volume = "20",
number = "6",
pages = "1225--1231",
month = dec,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200607",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Witschel:1981:OPE,
author = "W. Witschel",
title = "Ordered products of exponential operators by
similarity transformations",
journal = j-IJQC,
volume = "20",
number = "6",
pages = "1233--1241",
month = dec,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200608",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Westhaus:1981:CBP,
author = "Paul Westhaus",
title = "Connections between perturbation theory and the
unitary transformation methods of deriving effective
{Hamiltonians}",
journal = j-IJQC,
volume = "20",
number = "6",
pages = "1243--1253",
month = dec,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200609",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Balasubramanian:1981:SSS,
author = "K. Balasubramanian",
title = "Symmetry simplifications of space types in
configuration interaction induced by orbital
degeneracy",
journal = j-IJQC,
volume = "20",
number = "6",
pages = "1255--1271",
month = dec,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200610",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bhattacharyya:1981:VRS,
author = "Kamal Bhattacharyya",
title = "Variants of {Rayleigh--Schr{\"o}dinger} perturbation
theory---a new look",
journal = j-IJQC,
volume = "20",
number = "6",
pages = "1273--1284",
month = dec,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200611",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Brucenta:1981:ETM,
author = "A. Bruce{\~n}ta and P. Vermeulin and P. Archirel and
G. Berthier",
title = "Exponential transformation of molecular orbitals.
{II}. {General} formulation for {UHF} calculations and
application to diatomics and molecular fragments",
journal = j-IJQC,
volume = "20",
number = "6",
pages = "1285--1300",
month = dec,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200612",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Nakatsuji:1981:CEW,
author = "Hiroshi Nakatsuji and Kimihiko Hirao",
title = "Cluster expansion of the wave function. {Electron}
correlations in singlet and triplet excited states,
ionized states, and electron attached states by {SAC}
and {SAC--CI} theories",
journal = j-IJQC,
volume = "20",
number = "6",
pages = "1301--1313",
month = dec,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200613",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bamzai:1981:ISC,
author = "Anjuli S. Bamzai and B. M. Deb",
title = "Internal stresses and chemical binding in the {H}
molecule",
journal = j-IJQC,
volume = "20",
number = "6",
pages = "1315--1329",
month = dec,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200614",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Larsson:1981:BRB,
author = "Seven Larsson and Olle M{\aa}rtensson",
title = "Book Review: {{\booktitle{Catalysis in chemistry and
biochemistry. Theory and experiment. Jerusalem symposia
on quantum chemistry and biochemistry}}. Vol. 12.
Edited by B. Pullman. Reidel, Dordrecht, 1979. Price
(cloth): \$85.00. ISBN 90-277-1039-2}",
journal = j-IJQC,
volume = "20",
number = "6",
pages = "1331--1331",
month = dec,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200615",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Pullman:1979:CCB}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Calais:1981:BRBa,
author = "Jean-Louis Calais",
title = "Book Review: {{\booktitle{Chimie quantique structural
et {\'e}l{\'e}ments de spectroscopie th{\'e}orique}}.
By A. Julg. Office des publications universitaires,
Alger, 1978}",
journal = j-IJQC,
volume = "20",
number = "6",
pages = "1331--1332",
month = dec,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200616",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Calais:1981:BRBb,
author = "Jeans-Louis Calais",
title = "Book Review: {{\booktitle{Quantum Theory of
Polymers}}. Edited by J.-M. Andr{\'e}, J. Delhalle, and
J. Ladik. NATO advanced study Institutes series C,
Volume 39. Reidle, Dordrecht and Boston, 1978}",
journal = j-IJQC,
volume = "20",
number = "6",
pages = "1332--1332",
month = dec,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200617",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Andre:1978:QTP}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Calais:1981:BRBc,
author = "Jean-Louis Calais",
title = "Book Review: {{\booktitle{Electrons and Phonons in
Layered Crystal Structures}}. Edited by T. J. Wietling
and M. Schluter. Physics and Chemistry of Materials
with Layered Structures, Volume 3 D. Reidel, Dordrecht
and Boston, 1979}",
journal = j-IJQC,
volume = "20",
number = "6",
pages = "1332--1333",
month = dec,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200618",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Wieting:1979:EPL}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Siegbahn:1981:BRB,
author = "Hans Siegbahn",
title = "Book Review: {{\booktitle{Reactive Intermediates in
the Gas Phase, Generation and Monitoring}}. Edited by
D. W. Setser. Academic, New York, 1979}",
journal = j-IJQC,
volume = "20",
number = "6",
pages = "1333--1334",
month = dec,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200619;
https://doi.org/10.1002/qua.560200620",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Setser:1979:RIG}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
xxpages = "1333--1333",
}
@Article{Martensson:1981:BRB,
author = "Olle Martensson",
title = "Book Review: {{\booktitle{Carcinogenesis: Fundamental
Mechanisms and Environmental Effects}}. Edited by B.
Pullman, P. O. P. Ts'o, and H. Gelboin. The Jerusalem
Symposia on Quantum Chemistry and Biochemistry. Vol.
13. Reidel, Dordrecht, 1980. ISBN 90-277-1171-2}",
journal = j-IJQC,
volume = "20",
number = "6",
pages = "1334--1334",
month = dec,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200621",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Pullman:1980:CFM}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Froelich:1981:BRB,
author = "Piotr Froelich",
title = "Book Review: {{\booktitle{Ab Initio Calculations ---
Methods and Applications in Chemistry}}. By Petr
{\v{C}}{\'a}rsky and Miroslav Urban. Lecture Notes in
Chemistry No. 16. Springer-Verlag, Berlin, 1980. ISBN
3-540-10005-9}",
journal = j-IJQC,
volume = "20",
number = "6",
pages = "1334--1335",
month = dec,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200622",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Carsky:1980:ICM}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1981:Ab,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "20",
number = "6",
pages = "1337--1337",
month = dec,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200623",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1981:Mk,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "20",
number = "6",
pages = "fmi--fmii",
month = dec,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200601",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Oie:1981:DFI,
author = "Tetsuro Oie and Gerald M. Maggiora and Ralph E.
Christoffersen and David J. Duchamp",
title = "Development of a flexible intra- and intermolecular
empirical potential function for large molecular
systems",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "1--47",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200703",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Graf:1981:ESG,
author = "P. Graf and E. L. Mehler",
title = "Evaluation of small {Gaussian} basis sets for
ab-initio calculations on biologically active
molecules",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "49--61",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200704",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Graf:1981:DDI,
author = "P. Graf and E. L. Mehler",
title = "Direct determination of improved contraction
coefficients by a least-squares approach",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "63--71",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200705",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Sapse:1981:SCF,
author = "A. M. Sapse and C. S. Russell and G. Snyder",
title = "Self-consistent field calculations on
2-aminomethyl-3-carboxymethyl pyrrole, a substrate
analog of {PBG} deaminase evidence of intramolecular
hydrogen bonding",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "73--80",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200706",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Laurence:1981:ICC,
author = "Patricia R. Laurence and Colin Thomson",
title = "Ab-initio calculations of charge transfer interactions
involving ascorbic acid and its metabolites",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "81--93",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200707",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Loew:1981:QCS,
author = "Gilda H. Loew and Michael T. Poulsen",
title = "Quantum chemical studies of aflatoxins: {Metabolism}
and carcinogenic activity",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "95--107",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200708",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Gresh:1981:TSS,
author = "N. Gresh and C. Etchebest and O. {de la Luz Rojas} and
A. Pullman",
title = "A theoretical study of the selective alkali and
alkaline-earth cation binding properties of
valinomycin",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "109--116",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200709",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Ramani:1981:IMO,
author = "R. Ramani and Russell J. Boyd",
title = "Ab-initio molecular orbital study of the {\em
cis\slash trans\/} conformations of the peptide bond",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "117--127",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200710",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Chatterjee:1981:MOS,
author = "C. L. Chatterjee and Anil Saran",
title = "Molecular orbital studies on nucleoside antibiotics
{V}. {Conformation} of pyrazofurins",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "129--138",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200711",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Broch:1981:IAC,
author = "H. Broch and D. Cabrol and D. Vasilescu",
title = "Implications of aminoacyladenylate conformations in
the prebiotic polypeptide synthesis",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "139--148",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200712",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Lowrey:1981:MCN,
author = "A. H. Lowrey and P. C. Hariharan and Joyce J.
Kaufman",
title = "Molecular calculations with the nonempirical ab-initio
{MODPOT \slash VRDDO \slash MERGE} procedures. {XIV}.
2,6-dimethyl-{N}-nitroso morpholine and its
{$\alpha$-OH} isomers: {Conformations} and
electrostatic molecular potential contour maps",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "149--160",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200713",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Zakrzewska:1981:EPM,
author = "Krystyna Zakrzewska and Richard Lavery and Bernard
Pullman",
title = "The electrostatic potential of a model phospholipid
monolayer",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "161--170",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200714",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Lavery:1981:EMP,
author = "Richard Lavery and Sylvie Corbin and Alberte
Pullman",
title = "The electrostatic molecular potential of
{tRNA$^{Phe}$}. {V}. {The} influence of counterion
binding on the potential and the steric accessibility",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "171--183",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200715",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Mezey:1981:MTM,
author = "Paul G. Mezey",
title = "Manifold theory of multidimensional potential
surfaces",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "185--196",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200716",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Xiao-Yuan:1981:CEP,
author = "Fu Xiao-Yuan and Su Shu-Jun",
title = "Calculation of energies of protonation and
tautomerization of methyl histamines and their
relationship with {pK$_a$} values and biological
activities",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "197--200",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200717",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Cheney:1981:EPE,
author = "B. Vernon Cheney and Dominic A. Zichi",
title = "Effects of {N}-protonation on the electronic structure
of morphine and naloxone",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "201--219",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200718",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Scheiner:1981:PTH,
author = "Steve Scheiner",
title = "Proton transfers in hydrogen-bonded systems {V}.
{Analysis} of electronic redistributions in
{(N$_2$H$_7$)}$^+$",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "221--229",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200719",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Jeffrey:1981:HBG,
author = "G. A. Jeffrey and H. Maluszynska",
title = "Hydrogen-bonding geometry and patterns in
carbohydrates and amino acids",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "231--239",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200720",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Meshitsuka:1981:PNS,
author = "Shunsuke Meshitsuka and Gary M. Smith and Albert S.
Mildvan",
title = "Proton {NMR} studies of the histidine residues and of
bound {ATP} on rabbit muscle pyruvate kinase",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "241--245",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200721",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Gupta:1981:NPS,
author = "Raj K. Gupta and Jeffrey L. Benovic",
title = "{NMR} probes of the spatial arrangement of substrates
at the active site of creatine kinase",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "247--256",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200722",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Sheridan:1981:NRS,
author = "Robert P. Sheridan and Raj K. Gupta",
title = "{$^1$H} nuclear relaxation study of the
aniline-binding site in human hemoglobin",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "257--264",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200723",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Gascoyne:1981:ESR,
author = "Peter R. C. Gascoyne",
title = "An electron spin resonance investigation of amine
models for the protein--methylglyoxal interaction",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "265--270",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200724",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{vanZandt:1981:DDV,
author = "L. L. van Zandt",
title = "Damping of {DNA} vibration modes by viscous solvents",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "271--276",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200725",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Wagner:1981:SDO,
author = "Belinda J. Wagner and Chanchal K. Mitra and Ramaswamy
H. Sarma",
title = "Structure of {DNA} oligonucleotides",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "277--285",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200726",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Sundaralingam:1981:SMN,
author = "M. Sundaralingam and E. Westhof",
title = "Structural motifs of the nucleotidyl unit and the
handedness of polynucleotide helices",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "287--306",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200727",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Bone:1981:EPP,
author = "Stephen Bone and Joyce Eden and Ronald Pethig",
title = "Electrical properties of proteins as a function of
hydration and {NaCl} content",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "307--316",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200728",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Bennett:1981:MCE,
author = "H. Stanley Bennett",
title = "Muscle contraction and enzymatic action: {Challenges}
to quantum chemistry",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "317--329",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200729",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Sheridan:1981:SSN,
author = "Robert P. Sheridan and Raj K. Gupta",
title = "Spectroscopic studies of neocarzinostatin and its
chromophore: {UV} inactivation and mercaptan
activation",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "331--346",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200730",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Biczo:1981:HSE,
author = "G. Bicz{\'o} and I. Lukovits",
title = "Hunting of strange electronic states and structures in
solids and biopolymers",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "347--357",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200731",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Danilov:1981:EWT,
author = "Victor I. Danilov and J{\'o}zef S. Kwiatkowski and
Bogdan Lesyng and Valery I. Poltev",
title = "Effect of water on the tautomeric equilibrium of
2-oxopyridine. {A Monte Carlo} simulation study",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "359--364",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200732",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Moore:1981:ITS,
author = "Richard D. Moore",
title = "The insulin transduction system: {A} biophysical model
for mitogenesis",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "365--371",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200733",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Reggio:1981:MDB,
author = "Patricia H. Reggio and Harel Weinstein and Roman Osman
and Sid Topiol",
title = "Molecular determinants for binding of
methylenedioxytryptamines at {5-HT\slash LSD}
receptors",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "373--384",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200734",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Urry:1981:CPG,
author = "D. W. Urry and C. M. Venkatachalam and K. U. Prasad
and R. J. Bradley and G. Parenti-Castelli and G. Lenaz",
title = "Conduction processes of the gramicidin channel",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "385--399",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200735",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Seybold:1981:RBC,
author = "Paul G. Seybold and Richard Vestewig and John D.
Scribner",
title = "Relationships between carcinogenicity, mutagenicity,
and theoretical reactivity indices for polycyclic
aromatic hydrocarbons",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "401--408",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200736",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Shibata:1981:CAS,
author = "Masayuki Shibata and Thomas Kieber-Emmons and Shibani
Dutta and Robert Rein",
title = "A comparative analysis of the stability of the
chymotrypsin charge triad",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "409--417",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200737",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Kaufman:1981:SCG,
author = "Joyce J. Kaufman",
title = "Strategy for computer-generated theoretical and
quantum chemical prediction of toxicity and toxicology
(and pharmacology in general)",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "419--439",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200738",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Fox:1981:OPS,
author = "Sidney W. Fox",
title = "Origins of the protein synthesis cycle",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "441--454",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200739",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Findley:1981:GE,
author = "G. L. Findley and S. P. McGlynn",
title = "Geometry and evolution",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "455--461",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200740",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Randic:1981:GTC,
author = "M. Randic",
title = "Graph theoretical characterization of the dendritic
fields",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "463--479",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200741",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Anonymous:1981:Ac,
author = "Anonymous",
title = "Abstracts",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "481--482",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200742",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Anonymous:1981:I,
author = "Anonymous",
title = "Introduction",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "vii--vii",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200702",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Anonymous:1981:Ml,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "20",
number = "S8",
pages = "fmi--fmi",
day = "5--7",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200701",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:06 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Wilson:1981:JHV,
author = "E. Bright Wilson",
title = "{John Hasbrouck Van Vleck} (1899--1980)",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "1--3",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200802",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Anonymous:1981:BM,
author = "Anonymous",
title = "{Bernd T. Matthias}",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "5--19",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200803",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Sheppard:1981:TOQ,
author = "Maurice G. Sheppard and Karl F. Freed",
title = "Third-order quasidegenerate many-body perturbation
theory calculations for valence state correlation
energies of the nitrogen and oxygen atoms and their
ions",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "21--31",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200804",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Fukutome:1981:CTB,
author = "Hideo Fukutome and Katsufumi Hashimoto",
title = "Characterization of the two-body correlation
structures in a molecular many-electron wave function",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "33--59",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200805",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Cizek:1981:UCQ,
author = "J. {\v{C}}{\^\i}{\v{z}}ek and R. Pauncz and E. R.
Vrscay",
title = "The use of the concept of quasispin for the study of
physical and chemical properties of alternant
conjugated hydrocarbons",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "61--62",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200806",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Born:1981:UGF,
author = "Gregory Born and Isaiah Shavitt",
title = "A unitary group formulation of open-shell electron
propagator theory",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "63--63",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200807",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Davidson:1981:QSE,
author = "Ernest R. Davidson",
title = "Qualitatively significant effects of electron
correlation",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "65--68",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200808",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Hinze:1981:DCE,
author = "Juergen Hinze and Fak. F. Chemie",
title = "Developments in the calculation of electronic
wavefunctions for molecules: {MCSCF}, {CI}, and
numerical {SCF} for molecules",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "69--90",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200809",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lischka:1981:NIG,
author = "Hans Lischka and Ron Shepard and Franklin B. Brown and
Isaiah Shavitt",
title = "New implementation of the graphical unitary group
approach for multireference direct configuration
interaction calculations",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "91--100",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200810",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Pauncz:1981:SCI,
author = "Ruben Pauncz",
title = "Studies in the configuration interaction method. {I}.
{Combinatorial} aspects of the downward-{Robb}
algorithm",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "101--111",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200811",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Ortiz:1981:AWR,
author = "J. V. Ortiz and Brian Weiner and Yngve {\"O}hrn",
title = "The {AGP} wavefunction and its relation to other
descriptions of electronic structure",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "113--128",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200812",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lozes:1981:ITA,
author = "Richard L. Lozes and Brian Weiner and Yngve
{\"O}hrn",
title = "Invariance transformations and {AGP} optimization",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "129--131",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200813",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Sangfelt:1981:AAP,
author = "Erland Sangfelt and Osvaldo Goscinski and Nils Elander
and Henry Kurtz",
title = "An analysis of the {AGP} and projected {AGP}
wavefunctions",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "133--141",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200814",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kurtz:1981:EOA,
author = "Henry A. Kurtz and Nils Elander and Osvaldo Goscinski
and Erland Sangfelt",
title = "On the energy optimization of the {AGP} wavefunction.
{The} ground state of the {Be} atom",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "143--149",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200815",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Yeager:1981:EMM,
author = "Danny L. Yeager and Jeppe Olsen and Poul
J{\o}rgensen",
title = "The evaluation of {MCRPA (MCTDHF)} electronic
excitation energies, oscillator strengths, and
polarizabilities: {Application} to {O$_2$}",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "151--162",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200816",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Matsen:1981:PHG,
author = "F. A. Matsen",
title = "Particle-hole {Gel'fand} states and quasidegenerate
perturbation theory",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "163--175",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200817",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Mcdowell:1981:AQW,
author = "Keith Mcdowell",
title = "Assessing the quality of a wavefunction using quantum
{Monte Carlo}",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "177--181",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200818",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Mckeen:1981:SDR,
author = "Leighton E. Mckeen and Everett G. Larson",
title = "Symmetry-decomposed reduced transition operators for
degenerate atomic states --- Their generation and their
utility",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "183--188",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200819",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Curtiss:1981:IMO,
author = "L. A. Curtiss and D. J. Frurip",
title = "Ab initio molecular orbital calculations on hydrogen
bonding in binary water-alcohol mixtures:
{(CH$_3$OH)$_2$(H$_2$O)}, {(CH$_3$OH) (H$_2$O)$_2$},
and {(CF$_3$CH$_2$OH)(H$_2$O)}",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "189--197",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200820",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kaufman:1981:ANC,
author = "Joyce J. Kaufman and P. C. Hariharan and Herbert E.
Popkie",
title = "Additional new computational strategies for ab initio
calculations on large molecules",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "199--201",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200821",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Tobin:1981:IMV,
author = "Frank L. Tobin and P. C. Hariharan and Joyce J.
Kaufman and Richard S. Miller",
title = "Ab initio {MODPOT\slash VRDDO\slash MERGE}
calculations on energetic compounds. {I}. {Mechanism}
of initiation of cationic polymerization from
electrostatic molecular potential contour maps",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "203--216",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200822",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Delhalle:1981:PUU,
author = "J. Delhalle and J. M. Andre and L. Piela and L. Z.
Stolarczyk",
title = "Potential use of the unit cell arbitrary concept to
evaluate long-range interactions in quantum mechanical
studies of model polymers",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "217--217",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200823",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Vercauteren:1981:SDO,
author = "D. P. Vercauteren and J. G. Fripiat and J. M.
Andr{\'e}",
title = "Symmetry dilemmas in oxocarbons",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "219--224",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200824",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Simonetta:1981:NPI,
author = "Massimo Simonetta and Mario Raimondi and Gian Franco
Tantardini",
title = "New problems for ab-initio valence bond theory",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "225--229",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200825",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Bredas:1981:NSE,
author = "J. L. Br{\'e}das and R. R. Chance and R. H. Baughman
and R. Silbey",
title = "Nonempirical studies of the electronic properties of
highly conducting polymers",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "231--241",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200826",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Heeger:1981:SMP,
author = "A. J. Heeger and A. G. Macdiarmid",
title = "Semiconducting and metallic polymers: {From} quantum
chemistry to new technology",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "243--249",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200827",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Cederbaum:1981:MVC,
author = "L. S. Cederbaum and H. K{\"o}ppel and W. Domcke",
title = "Multimode vibronic coupling effects in molecules",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "251--267",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200828",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Pople:1981:MOS,
author = "J. A. Pople and H. B. Schlegel and R. Krishnan and D.
J. Defrees and J. S. Binkley and M. J. Frisch and
R. A. Whiteside and R. F. Hout and W. J. Hehre",
title = "Molecular orbital studies of vibrational frequencies",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "269--278",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200829",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Mezey:1981:IIE,
author = "Paul G. Mezey",
title = "The isoelectronic and isoprotonic energy hypersurface
and the topology of the nuclear charge space",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "279--285",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200830",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Jones:1981:CGFb,
author = "Herbert W. Jones",
title = "Computer-generated formulas for hybrid integrals over
{Slater}-type orbitals",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "287--291",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200831",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kiang:1981:PTM,
author = "Yuan-Sun Kiang",
title = "Partition technique and molecular graph theory",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "293--304",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200832",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Sun:1981:LAM,
author = "Chia-Chung Sun and Bei-Foo Li and Au-Chin Tang",
title = "{Lie} algebra and molecular shell model. {II}",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "305--320",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200833",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kim:1981:GTM,
author = "Shoon K. Kim",
title = "A general theory of matrix transformation and its
application to quantum mechanical problems",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "321--329",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200834",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Jordan:1981:RDE,
author = "Kenneth D. Jordan",
title = "Recent developments in electron-molecule scattering",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "331--340",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200835",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Valone:1981:DEA,
author = "Steven M. Valone and Devarajan Thirumalai and Donald
G. Truhlar",
title = "Dispersion-equation approach to obtaining complex
optical potentials for electron scattering",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "341--353",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200836",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Nicolaides:1981:TCR,
author = "C. A. Nicolaides and Y. Komninos and Th. Mercouris",
title = "Theory and calculation of resonances using complex
coordinates",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "355--367",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200837",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Folland:1981:DDM,
author = "N. O. Folland",
title = "Dynamical derivation of microscopic stress tensors",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "369--379",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200838",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Buchler:1981:PCP,
author = "J. Robert Buchler and Manuel Barranco",
title = "Phase-coexistence in partially degenerate nuclear
matter",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "381--384",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200839",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Tai:1981:EOE,
author = "Chin Chui Tai and Geoffrey Hunter",
title = "An exact one-electron model of atomic structure: {The}
helium atom ground state",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "385--385",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200840",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Csavinszky:1981:ISS,
author = "P. Csavinszky",
title = "Introduction of the shell structure with gradient
expansion corrections into the {Thomas--Fermi--Dirac}
energy density functional for neutral atoms",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "387--391",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200841",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Thakkar:1981:EED,
author = "Ajit J. Thakkar and Nancy J. Moore",
title = "Electronic extracule densities",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "393--400",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200842",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Leite:1981:VCM,
author = "Jos{\'e} R. Leite and Adalberto Fazzio and Marco A. P.
Lima and A. M. Dias and Abel Rosato and E. Segre",
title = "The variational cellular method for quantum mechanical
applications: {Calculations} of the ground and excited
states of {F$_2$} and {Ne$_2$} molecules",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "401--408",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200843",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Donnelly:1981:ADM,
author = "Robert A. Donnelly",
title = "An approximate density matrix energy functional",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "409--417",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200844",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{El-Issa:1981:GFM,
author = "B. D. El-Issa",
title = "{Green}'s functions in multiple scattering theory",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "419--428",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200845",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Castro:1981:BMT,
author = "Miguel Castro and Jaime Keller and Pilar Mareca",
title = "Bonding in the {MO$_2$} transition-metal diatomic
molecule",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "429--435",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200846",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Schulman:1981:TKA,
author = "Joel N. Schulman and John D. Dow",
title = "On the theory of the {KVV} {Auger} spectrum of {Li}",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "437--443",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200847",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Tsukada:1981:ESV,
author = "Masaru Tsukada and Toshiharu Hoshino",
title = "Electronic structure of vacancy and chemisorptive bond
on {Si(111)} surface by the {DV--X$\alpha$} cluster
calculation",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "445--455",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200848",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Brescansin:1981:MXT,
author = "Luiz M. Brescansin and A. Fazzio",
title = "{MS--X$\alpha$}: {Treatment} for native defects in
{GaSb}",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "457--457",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200849",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Brener:1981:MEA,
author = "N. E. Brener and J. L. Fry and R. A. Johnson",
title = "Matrix elements in the analytic tetrahedron method",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "459--468",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200850",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Sankey:1981:EEF,
author = "Otto F. Sankey and Roland E. Allen and John D. Dow",
title = "Effects of the environment on {Frenkel} core-exciton
energies",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "469--476",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200851",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Avery:1981:TID,
author = "John Avery and Per-Johan {\O}rmen and Donald Mullen",
title = "Transferable integrals in a deformation density
approach to crystal orbital calculations. {VII}.
{Crystal} field theory using measured densities and
potentials",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "477--486",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200852",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kunz:1981:PNB,
author = "A. Barry Kunz",
title = "Properties of narrow band insulators",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "487--498",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200853",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Pattnaik:1981:UAE,
author = "P. C. Pattnaik and J. L. Fry and N. E. Brener and G.
Fletcher",
title = "Use of {ATM} in evaluating spin-density",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "499--505",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200854",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kuivalainen:1981:MPM,
author = "P. Kuivalainen and J. Sinkkonen and T. Stubb",
title = "Magnetic polarons in magnetic semiconductors",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "507--519",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200855",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Beck:1981:ILC,
author = "Donald R. Beck",
title = "On the incorporation of local correlation effects into
ionic solids",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "521--538",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200856",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Fletcher:1981:HTS,
author = "G. Fletcher",
title = "High-temperature superconductivity in {CdS}: {A}
theoretical investigation",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "539--544",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200857",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Little:1981:CDE,
author = "W. A. Little",
title = "Criteria for the design of an excitonic
superconductor",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "545--554",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200858",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Rives:1981:NHO,
author = "A. B. Rives and F. Weinhold",
title = "Natural hybrid orbitals: ab initio {SCF} and {CI}
results for {CO} and {NiCO}",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "555--555",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200859",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Anonymous:1981:SSM,
author = "Anonymous",
title = "Subsymposium on scattering by many-body systems and
related computational methods",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "557--557",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200860",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Linderberg:1981:MSM,
author = "Jan Linderberg",
title = "Multiple surface molecular motion: {A} $t$-matrix
approach",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "559--581",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200861",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Wardlaw:1981:SDT,
author = "David Wardlaw and Paul Brumer",
title = "State densities and time delay in molecular
collisions",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "583--594",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200862",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Nalewajski:1981:NKF,
author = "Roman F. Nalewajski and Roman Pastewski",
title = "Normalized kinetic field potentials for the
atom-diatom reactions. {Testing} the collinear
surfaces",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "595--610",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200863",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Elgersma:1981:QTS,
author = "H. Elgersma and G. C. Schatz",
title = "A quasiclassical trajectory study of mode specific
reaction rate enhancements in {H $+$ H$_2$O (v$_1$
v$_2$ v$_3$) $\rightarrow$ OH $+$ H$_2$}",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "611--619",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200864",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Fukui:1981:TC,
author = "Kenichi Fukui and Akitomo Tachibana and Koichi
Yamashita",
title = "Toward chemodynamics",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "621--632",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200865",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Fukui:1981:VPC,
author = "Kenichi Fukui",
title = "Variational principles in a chemical reaction",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "633--642",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200866",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Micha:1981:CET,
author = "David A. Micha",
title = "Cumulant expansion of time-correlation functions for
collisional energy transfer",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "643--652",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200867",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Vilallonga:1981:TCF,
author = "Eduardo Vilallonga and David A. Micha",
title = "Time-correlation function approach to molecular
anharmonicity in hyperthermal atom-molecule
collisions",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "653--661",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200868",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Casaubon:1981:MTA,
author = "J. I. Casaubon and R. D. Piacentini and A. Salin",
title = "Molecular treatment of atomic collisions in the
{keV\slash amu} energy range: {Application} to the
{Li$^{3+}$\bond{}H} system",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "663--670",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200869",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Bottcher:1981:NST,
author = "C. Bottcher",
title = "Numerical solution of the time-dependent
{Schr{\"o}dinger} equation with {Coulomb}
interactions",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "671--682",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200870",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kreuzer:1981:KEP,
author = "H. J. Kreuzer",
title = "Kinetic equations for physisorption",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "683--694",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200871",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Obcemea:1981:GVR,
author = "Ch. Obcemea and P. Froelich and E. J. Br{\"a}ndas",
title = "Generalized virial relations and the theory of
subdynamics",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "695--702",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200872",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kresin:1981:NAA,
author = "Vladimir Z. Kresin and William A. {Lester, Jr.}",
title = "A new adiabatic approach to the photodissociation of
polyatomic molecules",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "703--714",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200873",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Flannery:1981:IIR,
author = "M. R. Flannery",
title = "Ion-ion recombination in dilute and dense plasmas",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "715--727",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200874",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Anonymous:1981:Mm,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "20",
number = "S15",
pages = "fmi--fmi",
day = "8--14",
month = mar,
year = "1981",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560200801",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:34:09 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular, and Solid-State Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lowdin:1982:I,
author = "Per-Olov L{\"o}wdin and Yngve {\"O}hrn",
title = "Introduction",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "1--2",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210102",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Simon:1982:LOS,
author = "Barry Simon",
title = "Large orders and summability of eigenvalue
perturbation theory: a mathematical overview",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "3--25",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210103",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cizek:1982:LOP,
author = "Ji{\v{r}}{\'\i} {\v{C}}{\'\i}{\v{z}}ek and Edward R.
Vrscay",
title = "Large order perturbation theory in the context of
atomic and molecular physics---interdisciplinary
aspects",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "27--68",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210104",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1982:PTP,
author = "Per-Olov L{\"o}wdin",
title = "Partitioning technique, perturbation theory, and
rational approximations",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "69--92",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210105",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bender:1982:PTL,
author = "Carl M. Bender",
title = "Perturbation theory in large order for some elementary
systems",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "93--104",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210106",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Wu:1982:LOP,
author = "Tai Tsun Wu",
title = "Large-Order perturbation theory",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "105--118",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210107",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Avron:1982:BWF,
author = "J. E. Avron",
title = "{Bender--Wu} formulas and classical trajectories:
{Higher} dimensions and degeneracies",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "119--124",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210108",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Silverstone:1982:UDP,
author = "Harris J. Silverstone",
title = "Unified derivation of the perturbation series for the
real and imaginary parts of the energy of hydrogen in
the {Stark} effect and of the negatively anharmonic
oscillator",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "125--131",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210109",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Reinhardt:1982:PSR,
author = "William P. Reinhardt",
title = "{Pad{\'e}} summations for the real and imaginary parts
of atomic {Stark} eigenvalues",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "133--146",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210110",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pellegatti:1982:NEC,
author = "Alain Pellegatti and Ji{\v{r}}{\'\i}
{\v{C}}{\'\i}{\v{z}}ek and Josef Paldus",
title = "Numerical estimates of the convergence of the
{Rayleigh--Schr{\"o}dinger} perturbation expansions for
the energy levels of various models of the benzene
molecule",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "147--151",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210111",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Adams:1982:RTP,
author = "B. G. Adams and J. {\v{C}}{\'\i}{\v{z}}ek and J.
Paldus",
title = "Representation theory of so (4,2) for the perturbation
treatment of hydrogenic-type {Hamiltonian}s by
algebraic methods",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "153--171",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210112",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Khuri:1982:FSA,
author = "N. N. Khuri",
title = "Failure of strong asymptotic conditions in
four-dimensional field theories",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "173--177",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210113",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Au:1982:PTR,
author = "C. K. Au",
title = "Perturbation theory via the {Ricatti} equation",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "179--190",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210114",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Damburg:1982:DW,
author = "R. Damburg and R. Propin",
title = "Double wells",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "191--193",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210115",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Graffi:1982:MPT,
author = "S. Graffi",
title = "Meaning of the perturbation theory for a class of
multiple-well anharmonic oscillators",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "195--197",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210116",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Harrell:1982:ETP,
author = "Evans M. {Harrell II}",
title = "Estimating tunneling phenomena",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "199--207",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210117",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1982:WPT,
author = "Anonymous",
title = "Workshop on perturbation theory at large order: {List}
of participants",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "209--211",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210118",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1982:P,
author = "Per-Olov L{\"o}wdin and Jean-Louis Calais and Osvaldo
Goscinski",
title = "Preface",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "215--215",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210119",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hayns:1982:RTQ,
author = "M. R. Hayns",
title = "Relevance of the techniques of quantum chemistry in
materials science and related areas",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "217--229",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210120",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Calais:1982:QCC,
author = "Jean-Louis Calais",
title = "Is quantum chemistry concerned with materials
science?",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "231--237",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210121",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dunne:1982:TMT,
author = "Lawrence J. Dunne and Leon Combs",
title = "Towards a molecular theory of phase transitions in
fatty acid monolayers",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "239--250",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210122",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{CorreaDeMello:1982:CSC,
author = "P. {Corr{\^e}a De Mello} and M. Hehenberger and M. C.
Zernert",
title = "Converging {SCF} calculations on excited states",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "251--258",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210123",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Brandas:1982:SCC,
author = "Erkki J. Br{\"a}ndas and Leon L. Combs and Nestor S.
Correia",
title = "Size consistency corrections for configurational
interaction calculations",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "259--267",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210124",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Goscinski:1982:SPR,
author = "Osvaldo Goscinski",
title = "Some properties of reduced density matrices,
correlated and uncorrelated, for pure and mixed
states",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "269--273",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210125",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1982:AQT,
author = "Per-Olov L{\"o}wdin",
title = "On the axioms of quantum theory formulated as a trace
algebra",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "275--353",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210126",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1982:Ma,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "21",
number = "1",
pages = "fmi--fmii",
month = jan,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210101",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:38 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1982:DFT,
author = "Per-Olov L{\"o}wdin and Jean-Louis Calais and Osvaldo
Goscinski",
title = "Density functional theory",
journal = j-IJQC,
volume = "21",
number = "2",
pages = "357--357",
month = feb,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210202",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Oriade:1982:ESB,
author = "Joseph Oriade",
title = "Electronic structure of beryllium",
journal = j-IJQC,
volume = "21",
number = "2",
pages = "359--367",
month = feb,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210203",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Weiner:1982:SAP,
author = "Brian Weiner and Osvaldo Goscinski",
title = "Superoperator approach to propagator approximations",
journal = j-IJQC,
volume = "21",
number = "2",
pages = "369--398",
month = feb,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210204",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Malykhanov:1982:VPT,
author = "Yu. B. Malykhanov",
title = "Variational-Perturbation theory in the {LCAO-MO}
method for closed-shell molecules",
journal = j-IJQC,
volume = "21",
number = "2",
pages = "399--410",
month = feb,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210205",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Balasubramanian:1982:SGC,
author = "K. Balasubramanian",
title = "Symmetry groups of chemical graphs",
journal = j-IJQC,
volume = "21",
number = "2",
pages = "411--418",
month = feb,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210206",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Simas:1982:MSP,
author = "Alfredo M. Simas and Art J. Thakkar and Vedene H.
{Smith, Jr.}",
title = "Momentum space properties of various orbital basis
sets used in quantum chemical calculations",
journal = j-IJQC,
volume = "21",
number = "2",
pages = "419--429",
month = feb,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210207",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Skancke:1982:ICE,
author = "Anne Skancke and Colin Thomson",
title = "Ab initio calculations of the electronic structures of
{Dimethylnitrosamine (DMN)} and its {Metabolite
Hydroxydimethylnitrosamine (HDMN)}: a possible
intermediate in carcinogenesis by {DMN}",
journal = j-IJQC,
volume = "21",
number = "2",
pages = "431--443",
month = feb,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210208",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cheney:1982:SFA,
author = "B. Vernon Cheney",
title = "Structural factors affecting aryl hydrocarbon
hydroxylase induction by dibenzo-p-dioxins and
dibenzofurans",
journal = j-IJQC,
volume = "21",
number = "2",
pages = "445--463",
month = feb,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210209",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Muller:1982:CIC,
author = "Jiri M{\"u}ller",
title = "Configuration interaction calculations of the valence
and the inner valence levels of the {CS} molecule",
journal = j-IJQC,
volume = "21",
number = "2",
pages = "465--473",
month = feb,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210210",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sasaki:1982:SAE,
author = "Yorihiko Sasaki and Shigehiro Konaka and Takao Iijima
and Masao Kimura",
title = "Small-angle electron scattering and electron density
in carbon dioxide",
journal = j-IJQC,
volume = "21",
number = "2",
pages = "475--485",
month = feb,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210211",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Wesenberg:1982:CIR,
author = "G. Wesenberg and F. Weinhold",
title = "Coupling of internal rotations in propanelike
molecules",
journal = j-IJQC,
volume = "21",
number = "2",
pages = "487--509",
month = feb,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210212",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Levy:1982:DHK,
author = "M. Levy and J. P. Perdew",
title = "In defense of the {Hohenberg--Kohn} theorem and
density functional theory",
journal = j-IJQC,
volume = "21",
number = "2",
pages = "511--513",
month = feb,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210213",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1982:Mb,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "21",
number = "2",
pages = "fmi--fmii",
month = feb,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210201",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Avery:1982:TID,
author = "John Avery and Per-Johan {\O}rmen and Ibha
Chatterjee",
title = "Transferable integrals in a deformation density
approach to crystal calculations. {I}. {Crystal}
harmonics and their properties",
journal = j-IJQC,
volume = "21",
number = "3",
pages = "515--542",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210302",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Terasaka:1982:NCH,
author = "Toshitaka Terasaka and Kazuyoshi Sakamoto",
title = "Note on calculations by hypervirial relations and
sufficient conditions for these relations: {Box}
potential and harmonic oscillator models",
journal = j-IJQC,
volume = "21",
number = "3",
pages = "543--556",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210303",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Trsic:1982:IHF,
author = "M. Trsic and W. G. Laidlaw",
title = "Ab initio {Hartree--Fock--Slater} calculation of
{Tetrathiafulvalene (TTF)} and the {TTF$^{1+}$} and
{TTF$^{2+}$} ions",
journal = j-IJQC,
volume = "21",
number = "3",
pages = "557--563",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210304",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Snyder:1982:SBD,
author = "Lawrence C. Snyder and Zelda R. Wasserman and Jules W.
Moskowitz",
title = "Stability and bonding of disilyne and its isomers: a
generalized valence bond-effective potential study",
journal = j-IJQC,
volume = "21",
number = "3",
pages = "565--579",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210305",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Balasubramanian:1982:SCT,
author = "K. Balasubramanian",
title = "Spectra of chemical trees",
journal = j-IJQC,
volume = "21",
number = "3",
pages = "581--590",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210306",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Weiner:1982:GLG,
author = "B. Weiner",
title = "General linear group approach to bivariational
problems",
journal = j-IJQC,
volume = "21",
number = "3",
pages = "591--610",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210307",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hamano:1982:VSF,
author = "Hidekazu Hamano",
title = "Variational solutions of a first-order perturbation
equation",
journal = j-IJQC,
volume = "21",
number = "3",
pages = "611--616",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210308",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Westhaus:1982:CBP,
author = "Paul Westhaus",
title = "Connections between perturbation theory and the {Van
Vleck} transformation: {Illustrative} calculations on
the perturbed harmonic oscillator",
journal = j-IJQC,
volume = "21",
number = "3",
pages = "617--632",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210309",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Biskupic:1982:CEH,
author = "Stanislav Biskupi{\v{c}} and Vladim{\'\i}r
Kvasni{\v{c}}ka",
title = "Construction of an effective {Hamiltonian} for
open-shell molecular systems",
journal = j-IJQC,
volume = "21",
number = "3",
pages = "633--645",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210310",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Randic:1982:SPC,
author = "Milan Randi{\'c} and Vladimir Katovi{\'c}",
title = "Symmetry properties of chemical graphs. {IV}.
{Rearrangement} of tetragonal-pyramidal complexes",
journal = j-IJQC,
volume = "21",
number = "3",
pages = "647--663",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210311",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{De:1982:CIS,
author = "B. R. De and S. Bhattacharjee and A. B. Sannigrahi",
title = "{CNDO/2} and {INDO} studies of structure and relative
stability of a series of {H\,AB--H\,BA} systems of
mixed first- and second-row composition",
journal = j-IJQC,
volume = "21",
number = "3",
pages = "665--669",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210312",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fernandez:1982:TDH,
author = "Francisco M. Fern{\'a}ndez and Eduardo A. Castro",
title = "Trivial off-diagonal {Hellmann--Feynman} formulas",
journal = j-IJQC,
volume = "21",
number = "3",
pages = "671--672",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210313",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1982:Mc,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "21",
number = "3",
pages = "fmi--fmii",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210301",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fernndez:1982:HEE,
author = "Francisco M. Fer{\'n}ndez and Eduardo A. Castro",
title = "Hyperviral extension for energies of
parameter-dependent systems",
journal = j-IJQC,
volume = "21",
number = "4",
pages = "673--676",
month = apr,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210402",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mezey:1982:CTI,
author = "P. G. Mezey and G. {Del Re} and P. Otto and S. Suhai
and J. Ladik",
title = "Charge transfer and induced polarization in model
peptide--ion complexes",
journal = j-IJQC,
volume = "21",
number = "4",
pages = "677--697",
month = apr,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210403",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Daudel:1982:UQG,
author = "Raymond Daudel and Raymond A. Poirier and Imre G.
Csizmadia",
title = "Uniform quality {Gaussian} basis sets for molecular
calculations. {V}. {Property} optimization: a study on
{H$_2$O}",
journal = j-IJQC,
volume = "21",
number = "4",
pages = "699--710",
month = apr,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210404",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lochmann:1982:CPM,
author = "R. Lochmann and Th. Weller",
title = "Calculation of periodic molecular systems with
perturbed periodicity within the {PCILO} framework.
{I}. {Method}",
journal = j-IJQC,
volume = "21",
number = "4",
pages = "711--716",
month = apr,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210405",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Essen:1982:PTE,
author = "Hanno Ess{\'e}n",
title = "Periodic table of the elements and the {Thomas--Fermi}
atom",
journal = j-IJQC,
volume = "21",
number = "4",
pages = "717--726",
month = apr,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210406",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bacic:1982:CCR,
author = "Zlatko Ba{\v{c}}i{\'c} and Jack Simons",
title = "Complex coordinate rotation calculation of branching
ratios",
journal = j-IJQC,
volume = "21",
number = "4",
pages = "727--739",
month = apr,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210407",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fernandez:1982:VTB,
author = "Francisco M. Fern{\'a}ndez and Eduardo A. Castro",
title = "Virial theorem and boundary conditions for approximate
wave functions",
journal = j-IJQC,
volume = "21",
number = "4",
pages = "741--751",
month = apr,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210408",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Malinowski:1982:CSI,
author = "P. Malinowski and A. C. Tanner and K. F. Lee and B.
Linder",
title = "Calculation in {$K$} space of integrals arising in the
theory of {van der Waals} forces",
journal = j-IJQC,
volume = "21",
number = "4",
pages = "753--765",
month = apr,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210409",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1982:Aa,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "21",
number = "4",
pages = "767--768",
month = apr,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210410",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1982:Md,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "21",
number = "4",
pages = "fmi--fmii",
month = apr,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210401",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{El-Basil:1982:NGTa,
author = "Sherif El-Basil",
title = "Novel graph-theoretical approach to estimating the
relative importance of individual {Kekul{\'e}} valence
structures. {I}. {Simple} catacondensed systems",
journal = j-IJQC,
volume = "21",
number = "5",
pages = "771--778",
month = may,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210502",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{El-Basil:1982:NGTb,
author = "Sherif El-Basil",
title = "Novel graph-theoretical approach to estimating the
relative importance of individual {Kekul{\'e}} valence
structures. {II}. {Benzenoid} systems having four to
seven fused benzene rings: {``Pseudodegenerate''}
states",
journal = j-IJQC,
volume = "21",
number = "5",
pages = "779--792",
month = may,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210503",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{El-Basil:1982:NGTc,
author = "Sherif El-Basil",
title = "Novel graph-theoretical approach to estimating the
relative importance of individual {Kekul{\'e}} valence
structures. {III}. {Nonalternate} and nonbenzenoid
hydrocarbons",
journal = j-IJQC,
volume = "21",
number = "5",
pages = "793--797",
month = may,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210504",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Poirier:1982:ICS,
author = "R. A. Poirier and R. Daudel and P. G. Mezey and I. G.
Csizmadia",
title = "Ab initio calculations on sulfur-containing compounds.
{I}. {Uniform} quality basis sets for sulfur: {Total}
energies and geometries of {H$_2$S}",
journal = j-IJQC,
volume = "21",
number = "5",
pages = "799--811",
month = may,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210505",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Laszlo:1982:CCR,
author = "I. L{\'a}szl{\'o}",
title = "{CNDO/2} calculations of relaxation and reconstruction
of diamond and silicon [111] surfaces",
journal = j-IJQC,
volume = "21",
number = "5",
pages = "813--822",
month = may,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210506",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Black:1982:DAG,
author = "R. J. Black and G. E. Stedman",
title = "Diagram approach to group algebraic methods",
journal = j-IJQC,
volume = "21",
number = "5",
pages = "823--831",
month = may,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210507",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Birner:1982:CEA,
author = "P. Birner and H.-J. Hofmann",
title = "Critical examination of approximate {LCAO MO} methods.
{I}. {Reasons} for the failure of the {CNDO} and {INDO}
methods in theoretical conformational analysis of
conjugated compounds",
journal = j-IJQC,
volume = "21",
number = "5",
pages = "833--843",
month = may,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210508",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Das:1982:CRO,
author = "M. P. Das",
title = "Calculation of relaxed orbital binding energies in
atoms: {Zinc} and cadmium",
journal = j-IJQC,
volume = "21",
number = "5",
pages = "845--849",
month = may,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210509",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bhattacharyya:1982:SMO,
author = "Sankar Prasad Bhattacharyya",
title = "Semiempirical molecular orbital calculations on
octahedral aquo complexes of transition metal ions:
$\sigma$-donor ability of water",
journal = j-IJQC,
volume = "21",
number = "5",
pages = "851--855",
month = may,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210510",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bhattacharyya:1982:FSH,
author = "Kamal Bhattacharyya",
title = "{Feenberg} scaling and higher-order invariants in
{Rayleigh--Schr{\"o}dinger} perturbation theory",
journal = j-IJQC,
volume = "21",
number = "5",
pages = "857--860",
month = may,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210511",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hashimoto:1982:CSC,
author = "Katsufumi Hashimoto",
title = "Charge and spin correlation structures of conjugated
$\pi$ systems: {Analysis} of full {CI} wave functions
of the {PPP} {Hamiltonian}",
journal = j-IJQC,
volume = "21",
number = "5",
pages = "861--874",
month = may,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210512",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fernndez:1982:HAE,
author = "Francisco M. Fer{\'n}ndez and Eduardo A. Castro",
title = "Hypervirial analysis of enclosed quantum mechanical
systems. {IV}. {Further} comments",
journal = j-IJQC,
volume = "21",
number = "5",
pages = "875--884",
month = may,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210513",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Grelland:1982:RLE,
author = "Hans H. Grelland and Jan Alml{\"o}f",
title = "Reduced local energy as a criterion for the accuracy
of approximate {Hartree--Fock} wave functions.
{Application} to {H$_2$O} and {CH$_4$}",
journal = j-IJQC,
volume = "21",
number = "5",
pages = "885--897",
month = may,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210514",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Csavinszky:1982:TED,
author = "P. Csavinszky",
title = "Theory of the electron distribution in compressed
atoms at high temperatures",
journal = j-IJQC,
volume = "21",
number = "5",
pages = "899--903",
month = may,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210515",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Banerjee:1982:SOE,
author = "Manas Banerjee and Sankar Prasad Bhattacharyya",
title = "Scaled one-electron {Hamiltonian} model for open-shell
{LCAO--MO--SCF} calculations: {Comparison} with the
restricted open-shell method of {Roothaan}",
journal = j-IJQC,
volume = "21",
number = "5",
pages = "905--915",
month = may,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210516",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Day:1982:CCC,
author = "R. S. Day and J. Ladik",
title = "Cluster {CPA} calculations for infinite and
half--infinite chains and applications to coupled
polymer chains",
journal = j-IJQC,
volume = "21",
number = "5",
pages = "917--926",
month = may,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210517",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ludena:1982:VFH,
author = "Eduardo V. Lude{\~n}a and Vladimiro Mujica",
title = "Virial fragments and the {Hohenberg--Kohn}
functional",
journal = j-IJQC,
volume = "21",
number = "5",
pages = "927--935",
month = may,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210518",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Swenson:1982:CHR,
author = "Robert J. Swenson",
title = "Comment on hypervirial relations for bounded systems",
journal = j-IJQC,
volume = "21",
number = "5",
pages = "937--938",
month = may,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210519",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Helgaker:1982:SDP,
author = "Trygve Ulf Helgaker",
title = "Simple derivation of the potential energy gradient for
an arbitrary electronic wave function",
journal = j-IJQC,
volume = "21",
number = "5",
pages = "939--940",
month = may,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210520",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lunell:1982:BRB,
author = "Sten Lunell",
title = "Book Review: {{\booktitle{Understanding physical
chemistry}}. By Arthur W. Adamson, Benjamin\slash
Cummings, 1980. Price: \$9.95}",
journal = j-IJQC,
volume = "21",
number = "5",
pages = "941--941",
month = may,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210521",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See
\cite{Adamson:1964:UPC,Adamson:1969:UPC,Adamson:1980:UPC}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1982:Ab,
author = "Anonymous",
title = "Announcements",
journal = j-IJQC,
volume = "21",
number = "5",
pages = "943--943",
month = may,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210522",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1982:Me,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "21",
number = "5",
pages = "fmi--fmii",
month = may,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210501",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Abdul-Ahad:1982:IAA,
author = "P. G. Abdul-Ahad and G. A. Webb",
title = "Interpretation of the antitumour activity of some
diacridines",
journal = j-IJQC,
volume = "21",
number = "6",
pages = "945--965",
month = jun,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210602",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Stolarczyk:1982:MTBa,
author = "Leszek Z. Stolarczyk",
title = "Molecular tight-binding method. {I}. {Many}-electron
method for hole bands of molecular crystals",
journal = j-IJQC,
volume = "21",
number = "6",
pages = "967--991",
month = jun,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210603",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Stolarczyk:1982:MTBb,
author = "Leszek Z. Stolarczyk",
title = "Molecular tight-binding method. {II}. {One}- and
many-electron method for excess electron bands of
molecular crystals",
journal = j-IJQC,
volume = "21",
number = "6",
pages = "993--1001",
month = jun,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210604",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kvasnicka:1982:PGC,
author = "V. Kvasni{\v{c}}ka",
title = "Permutation-Group classification and description of
the {Feynman--Goldstone} diagrams",
journal = j-IJQC,
volume = "21",
number = "6",
pages = "1003--1017",
month = jun,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210605",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fedyanin:1982:PEP,
author = "V. K. Fedyanin and L. V. Yakushevich",
title = "Particlelike excitations in the polypeptide chain
model",
journal = j-IJQC,
volume = "21",
number = "6",
pages = "1019--1028",
month = jun,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210606",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Krechl:1982:MOS,
author = "Ji{\v{r}}{\'\i} Krechl and Josef Kuthan",
title = "Molecular orbital study on the active center of
lactate dehydrogenase",
journal = j-IJQC,
volume = "21",
number = "6",
pages = "1029--1040",
month = jun,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210607",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hunter:1982:VMA,
author = "Geoffrey Hunter and Chin Chiu Tai",
title = "Variational marginal amplitudes",
journal = j-IJQC,
volume = "21",
number = "6",
pages = "1041--1050",
month = jun,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210608",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jolly:1982:SRU,
author = "P. Jolly and K. V. Sane and R. P. Saxena and P. K.
Srivastava",
title = "Some remarks on the use of rational functions as
variational functions",
journal = j-IJQC,
volume = "21",
number = "6",
pages = "1051--1055",
month = jun,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210609",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gallup:1982:TSP,
author = "G. A. Gallup",
title = "Transformation of spin projected {Slater} determinants
under orbital permutation",
journal = j-IJQC,
volume = "21",
number = "6",
pages = "1057--1060",
month = jun,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210610",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Smet:1982:EMH,
author = "F. Smet and A. {Van Groenendael}",
title = "{\'E}quation matricielle de {Hartree--Fock} permettant
de d{\'e}terminer la $n^{\mbox{\small i{\`e}me}}$
harmonique. ({French}) [{Hartree--Fock} matrix equation
allowing determination of the $n$-th harmonic]",
journal = j-IJQC,
volume = "21",
number = "6",
pages = "1061--1078",
month = jun,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210611",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
language = "French",
onlinedate = "19 Oct 2004",
}
@Article{Jones:1982:ETC,
author = "Herbert W. Jones",
title = "Evaluation of two-center overlap and {Coulomb}
integrals derived from {Slater}-type orbitals",
journal = j-IJQC,
volume = "21",
number = "6",
pages = "1079--1089",
month = jun,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210612",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gustav:1982:PAU,
author = "Klaus Gustav and Roland Colditz",
title = "Potential adaption: {Use} of polynomials as anharmonic
oscillator potentials",
journal = j-IJQC,
volume = "21",
number = "6",
pages = "1091--1095",
month = jun,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210613",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fernandez:1982:SCA,
author = "Francisco M. Fernandez and Eduardo A. Castro",
title = "Some comments about tensor virial theorem and linear
transformations",
journal = j-IJQC,
volume = "21",
number = "6",
pages = "1097--1103",
month = jun,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210614",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Abdul-Ahad:1982:QSA,
author = "P. G. Abdul-Ahad and G. A. Webb",
title = "Quantitative structure activity relationships for some
antitumor {platinum(II)} complexes",
journal = j-IJQC,
volume = "21",
number = "6",
pages = "1105--1115",
month = jun,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210615",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Easa:1982:LRI,
author = "S. I. Easa and F. N. Yousif",
title = "Long-Range interaction coefficients between {H},
{He$^+$}, {He}, and {Li$^+$}",
journal = j-IJQC,
volume = "21",
number = "6",
pages = "1117--1121",
month = jun,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210616",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kryachko:1982:MAR,
author = "Eugene S. Kryachko",
title = "Matrix analysis of {$N$}-representability necessary
conditions",
journal = j-IJQC,
volume = "21",
number = "6",
pages = "1123--1125",
month = jun,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210617",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1982:Mf,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "21",
number = "6",
pages = "fmi--fmii",
month = jun,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560210601",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:39 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Karunakaran:1982:ECCa,
author = "K. M. Karunakaran and Ralph E. Christoffersen",
title = "Explicitly correlated configuration interaction
studies using spherical {Gaussians}. {I}. {Theoretical}
considerations",
journal = j-IJQC,
volume = "22",
number = "1",
pages = "1--9",
month = jul,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220102",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Karunakaran:1982:ECCb,
author = "K. M. Karunakaran and Ralph E. Christoffersen",
title = "Explicitly correlated configuration interaction
studies using spherical {Gaussians}. {II}.
{Exploratory} studies on {LiH}",
journal = j-IJQC,
volume = "22",
number = "1",
pages = "11--21",
month = jul,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220103",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kobeissi:1982:AER,
author = "Hafez Kobeissi and Mahmoud Korek",
title = "Analytic expression of the rotation harmonics in the
vibration--rotation wave function of a diatomic
molecule",
journal = j-IJQC,
volume = "22",
number = "1",
pages = "23--29",
month = jul,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220104",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gustav:1982:VCE,
author = "Klaus Gustav and Roland Colditz",
title = "Vibronic coupling of electronic states. {II}.
Mathematical description of the model",
journal = j-IJQC,
volume = "22",
number = "1",
pages = "31--36",
month = jul,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220105",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gresh:1982:CNT,
author = "Nohad Gresh",
title = "Carcinogenicity of naphthylamines: a theoretical study
of the stacking interaction of 1- and
2-naphthylnitrenium ions with guanine, adenine, and the
dinucleoside monophosphate
cytidyl-(3$^\prime$-5$^\prime$)-guanosine",
journal = j-IJQC,
volume = "22",
number = "1",
pages = "37--48",
month = jul,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220106",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Oriade:1982:EPA,
author = "J. O. Oriade",
title = "Evaluation of positron annihilation in {Beryllium}",
journal = j-IJQC,
volume = "22",
number = "1",
pages = "49--67",
month = jul,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220107",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Maranon:1982:CTC,
author = "Julio Mara{\~n}{\'o}n and Horacio Grinberg and Norma
Sbarbati Nudelman",
title = "Charge-transfer character of the intermolecular
hydrogen bond in singlet and triplet excited electronic
states of the adenine--thymine base pair",
journal = j-IJQC,
volume = "22",
number = "1",
pages = "69--72",
month = jul,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220108",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chakraborty:1982:MME,
author = "B. P. Chakraborty",
title = "{Morse} matrix elements: {An} asymptotic expansion
treatment",
journal = j-IJQC,
volume = "22",
number = "1",
pages = "73--88",
month = jul,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220109",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mondragon:1982:PTH,
author = "A. Mondrag{\'o}n and I. Ortega Blake",
title = "Proton transference in hydrogen bonded systems. {I}.
{Uracil} tautomerism",
journal = j-IJQC,
volume = "22",
number = "1",
pages = "89--100",
month = jul,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220110",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mezey:1982:LST,
author = "Paul G. Mezey",
title = "Level set topology of the nuclear charge space and the
electronic energy functional",
journal = j-IJQC,
volume = "22",
number = "1",
pages = "101--114",
month = jul,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220111",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Labbe:1982:ATS,
author = "A. Toro Labbe and J. Maruani",
title = "Application of the theory of symmetry of nonrigid
molecules to the calculation of the conformational
dependences of the torsional potential and dipole
moment of acetone-related molecules",
journal = j-IJQC,
volume = "22",
number = "1",
pages = "115--125",
month = jul,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220112",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rettrup:1982:MPG,
author = "S. Rettrup and C. R. Sarma and J. P. Dahl",
title = "Molecular point group adaptation of spin--free
configurations",
journal = j-IJQC,
volume = "22",
number = "1",
pages = "127--148",
month = jul,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220113",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Roeggen:1982:ECD,
author = "I. R{\o}eggen",
title = "Electron correlation described by extended geminal
models: {The EXGEM} 2 and {EXGEM} 3 models",
journal = j-IJQC,
volume = "22",
number = "1",
pages = "149--168",
month = jul,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220114",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Otto:1982:III,
author = "P. Otto and J. Ladik",
title = "Intermolecular and intramolecular interactions
calculated with ab initio perturbative configuration
interaction method using strongly localized orbitals",
journal = j-IJQC,
volume = "22",
number = "1",
pages = "169--182",
month = jul,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220115",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Wilson:1982:SLP,
author = "R. G. Wilson and C. S. Sharma",
title = "Studies in {L{\"o}wdin}'s partitioning technique in
quantum theory. {II}. {Operators} {$T$} and
{$\Omega$}",
journal = j-IJQC,
volume = "22",
number = "1",
pages = "183--190",
month = jul,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220116",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tachibana:1982:SQS,
author = "Akitomo Tachibana",
title = "``Stable'' quasistationary state: {New} solution of
the time-dependent {Schr{\"o}dinger} equation",
journal = j-IJQC,
volume = "22",
number = "1",
pages = "191--197",
month = jul,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220117",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gresh:1982:CII,
author = "N. Gresh and P. Claverie and A. Pullman",
title = "Computations of intermolecular interactions:
{Expansion} of a charge-transfer energy contribution in
the framework of an additive procedure. {Applications}
to hydrogen-bonded systems",
journal = j-IJQC,
volume = "22",
number = "1",
pages = "199--215",
month = jul,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220118",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Maartensson:1982:BRB,
author = "Olle M{\aa}rtensson",
title = "Book Review: {{\booktitle{Applications of
photochemistry in probing biological targets}}. Edited
by A. M. Tometsko and F. W. Richards, Ann. New York
Academy of Sciences, New York, NY, 1980. Vol. 346.
Price: \$88.00}",
journal = j-IJQC,
volume = "22",
number = "1",
pages = "217--217",
month = jul,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220119",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Tometsko:1980:APP}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1982:Ac,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "22",
number = "1",
pages = "219--219",
month = jul,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220120",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1982:Mg,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "22",
number = "1",
pages = "fmi--fmii",
month = jul,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220101",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kent:1982:TBO,
author = "R. D. Kent and M. Schlesinger",
title = "Two-body operator matrix elements for pure and mixed
orbital configurations in the unitary group approach",
journal = j-IJQC,
volume = "22",
number = "2",
pages = "223--239",
month = aug,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220202",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hurley:1982:ACB,
author = "A. C. Hurley",
title = "Analysis of the covalent bond: {One} center floating
functions for the hydrogen molecule ion",
journal = j-IJQC,
volume = "22",
number = "2",
pages = "241--251",
month = aug,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220203",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lipinski:1982:DTF,
author = "J{\'o}zef Lipi{\'n}ski and Jerzy Leszczy{\'n}ski",
title = "Derivation of theoretical formulas for resonance
integrals from {Heisenberg} equation of motion",
journal = j-IJQC,
volume = "22",
number = "2",
pages = "253--263",
month = aug,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220204",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Viana:1982:PSC,
author = "Luci Martins Viana and Yuji Takahata",
title = "{PCILO} study of the conformation of 20-oxopregnane
hormones",
journal = j-IJQC,
volume = "22",
number = "2",
pages = "265--274",
month = aug,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220205",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Nielsen:1982:CRT,
author = "Egon S. Nielsen and Jack Simons",
title = "Coordinate rotated {TDHF} excitation energies
{Li$^{-}$} {$^1$S} $\rightarrow$ {$^1$P}",
journal = j-IJQC,
volume = "22",
number = "2",
pages = "275--288",
month = aug,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220206",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Colle:1982:RUA,
author = "Renato Colle and Oriano Salvetti",
title = "Remarks on the use of the average occupation numbers
in the {SCF} process for open shell systems",
journal = j-IJQC,
volume = "22",
number = "2",
pages = "289--292",
month = aug,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220207",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Piecuch:1982:IPM,
author = "Piotr Piecuch",
title = "Invariance properties of the multipole expansion",
journal = j-IJQC,
volume = "22",
number = "2",
pages = "293--298",
month = aug,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220208",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Moffat:1982:SSE,
author = "J. B. Moffat",
title = "Structures, stabilities, and energies of isomerization
of $\alpha$-cyano and $\alpha$-isocyano carbanions",
journal = j-IJQC,
volume = "22",
number = "2",
pages = "299--306",
month = aug,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220209",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bhattacharyya:1982:GET,
author = "Kamal Bhattacharyya",
title = "Generalized {Euler} transformation in extracting
useful information from divergent (asymptotic)
perturbation series and the construction of {Pad{\'e}}
approximants",
journal = j-IJQC,
volume = "22",
number = "2",
pages = "307--330",
month = aug,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220210",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Brocas:1982:LHG,
author = "J. Brocas and C. Rusu",
title = "{Longuet-Higgins} groups of {XeF$_6$}",
journal = j-IJQC,
volume = "22",
number = "2",
pages = "331--350",
month = aug,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220211",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Karadakov:1982:ISA,
author = "P. Karadakov and O. Casta{\~n}o",
title = "Instabilities of the symmetry-adapted
{Restricted-Hartree--Fock} ground state in infinite
polyenes. {I}. {Singlet} instabilities",
journal = j-IJQC,
volume = "22",
number = "2",
pages = "351--365",
month = aug,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220212",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Castano:1982:ISA,
author = "O. Casta{\~n}o and P. Karadakov",
title = "Instabilities of the symmetry-adapted
{restricted-Hartree--Fock} ground state in infinite
polyenes. {II}. {Nonsinglet} instabilities",
journal = j-IJQC,
volume = "22",
number = "2",
pages = "367--383",
month = aug,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220213",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Balasubramanian:1982:MCI,
author = "K. Balasubramanian",
title = "Method for constructing isomerization reactions",
journal = j-IJQC,
volume = "22",
number = "2",
pages = "385--395",
month = aug,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220214",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hashimoto:1982:UHF,
author = "Katsufumi Hashimoto",
title = "Unrestricted-Hartree--Fock wave functions
approximating low-lying covalent states of ring $\pi$
systems",
journal = j-IJQC,
volume = "22",
number = "2",
pages = "397--414",
month = aug,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220215",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gaspar:1982:IMCa,
author = "R. {G{\'a}sp{\'a}r, Jr.} and R. G{\'a}sp{\'a}ar",
title = "Ab initio molecular calculations with
pseudopotentials: {Calculations} of double-zeta quality
on ethylene, acetylene, and water",
journal = j-IJQC,
volume = "22",
number = "2",
pages = "415--420",
month = aug,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220216",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gaspar:1982:IMCb,
author = "R. G{\'a}sp{\'a}r and R. {G{\'a}sp{\'a}r, Jr.}",
title = "Ab initio molecular calculations with
pseudopotentials: {Higher} quality calculations on
{Li$_2$}, {LiH}, and {BeH$_2$}",
journal = j-IJQC,
volume = "22",
number = "2",
pages = "421--427",
month = aug,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220217",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Donati:1982:CTM,
author = "E. Donati and E. A. Castro and F. M. Fern{\'a}ndez",
title = "Calculation of total molecular energies from an
approximate relation between {SCF} orbital, atomic
electronic repulsion, and total {SCF} energies",
journal = j-IJQC,
volume = "22",
number = "2",
pages = "429--431",
month = aug,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220218",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Castro:1982:OCS,
author = "Eduardo A. Castro and Enrique J. Vasini",
title = "Omission in a comparative study of the structure and
properties of {ClF$_2$} and {Cl$_3$} radicals by
{CNDO/2} and {INDO} methods",
journal = j-IJQC,
volume = "22",
number = "2",
pages = "433--434",
month = aug,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220219",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{De:1982:EST,
author = "B. R. De and A. B. Sannigrahi",
title = "Electronic structure of triatomic interhalogens",
journal = j-IJQC,
volume = "22",
number = "2",
pages = "435--440",
month = aug,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220220",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bonchev:1982:GCC,
author = "Danail Bonchev and Alexandru T. Balaban and Milan
Randi{\'c}",
title = "The graph center concept for polycyclic graphs",
journal = j-IJQC,
volume = "22",
number = "2",
pages = "441--441",
month = aug,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220221",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Aagren:1982:BRB,
author = "Hans {\AA}gren",
title = "Book Review: {{\booktitle{Spin--orbit coupling in
molecules}}. By W. C. Richards, H. P. Trivedi, and D.
L. Cooper Clarendon Press, Oxford, 1981}",
journal = j-IJQC,
volume = "22",
number = "2",
pages = "443--443",
month = aug,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220222",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Richards:1981:SOC}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1982:Mh,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "22",
number = "2",
pages = "fmi--fmii",
month = aug,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220201",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Elander:1982:DWT,
author = "Nils Elander and Magnus Rittby and Erkki
Br{\"a}ndas",
title = "Dilated {Weyl} theory applied to a set of
{$N$}-coupled singular second-order differential
equations",
journal = j-IJQC,
volume = "22",
number = "3",
pages = "445--457",
month = sep,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220302",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Yamaguchi:1982:OSO,
author = "Kizashi Yamaguchi",
title = "Orbital symmetry, orbital stability, and orbital
pairing rules for organic reactions in the ground
state",
journal = j-IJQC,
volume = "22",
number = "3",
pages = "459--484",
month = sep,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220303",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Christophorov:1982:KTB,
author = "L. N. Christophorov and V. V. Gorbach and V. N.
Kharkyanen",
title = "Kinetic theory of bridge processes",
journal = j-IJQC,
volume = "22",
number = "3",
pages = "485--496",
month = sep,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220304",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cullen:1982:LBM,
author = "John M. Cullen and Michael C. Zerner",
title = "Localized bond model for molecular energy to fourth
order in perturbation theory",
journal = j-IJQC,
volume = "22",
number = "3",
pages = "497--535",
month = sep,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220305",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ferreira:1982:EAE,
author = "Ricardo Ferreira and Marcelo A. F. Gomes",
title = "Electronic aspects of enzymatic catalysis",
journal = j-IJQC,
volume = "22",
number = "3",
pages = "537--545",
month = sep,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220306",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sawaryn:1982:ISN,
author = "A. Sawaryn and J. S. Yadav",
title = "Ab initio studies on the nonplanarity of a peptide
unit: {Calculations} on model compounds",
journal = j-IJQC,
volume = "22",
number = "3",
pages = "547--556",
month = sep,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220307",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Panin:1982:MRCa,
author = "A. I. Panin",
title = "Method of recurrent construction of {L{\"o}wdin}
spin-adapted wave functions. {I}. {Addition} and
subtraction operators",
journal = j-IJQC,
volume = "22",
number = "3",
pages = "557--573",
month = sep,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220308",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Naray-Szabo:1982:EEC,
author = "G. N{\'a}ray-Szab{\'o}",
title = "Electrostatic effect on catalytic rate enhancement in
serine proteinases",
journal = j-IJQC,
volume = "22",
number = "3",
pages = "575--582",
month = sep,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220309",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Teitell:1982:MSF,
author = "Murray F. Teitell and J. Lawrence Fox",
title = "{MO} study of flavin reduction",
journal = j-IJQC,
volume = "22",
number = "3",
pages = "583--594",
month = sep,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220310",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Clementi:1982:BDS,
author = "E. Clementi and G. Corongiu",
title = "{B-DNA} structural determination of {Na$^+$}
counterions at different humidities, ionic
concentrations, and temperatures",
journal = j-IJQC,
volume = "22",
number = "3",
pages = "595--630",
month = sep,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220311",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Volkmann:1982:TIE,
author = "D. Volkmann and B. {\.Z}rawski and D. Heidrich",
title = "Theoretical investigation of the electrophilic attack.
{IX}. {Ab} initio study of the {C$_2$H$_4$}$\cdot${HF}
molecular complex",
journal = j-IJQC,
volume = "22",
number = "3",
pages = "631--637",
month = sep,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220312",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zielinski:1982:SSU,
author = "Theresa Julia Zielinski",
title = "{STO-3G} study of uracil, thymine, 5-fluorouracil,
5-methoxyuracil, and their 4-hydroxytautomeric forms",
journal = j-IJQC,
volume = "22",
number = "3",
pages = "639--647",
month = sep,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220313",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sapse:1982:SCF,
author = "A. M. Sapse and G. Snyder and A. V. Santoro and L.
Herzig",
title = "Self consistent field {MO} studies of the
vinylguanidinium ion",
journal = j-IJQC,
volume = "22",
number = "3",
pages = "649--655",
month = sep,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220314",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kryachko:1982:CMS,
author = "Eugene S. Kryachko",
title = "Classification of molecular symmetry by framework
groups",
journal = j-IJQC,
volume = "22",
number = "3",
pages = "657--659",
month = sep,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220315",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kryachko:1982:HCM,
author = "Eugene S. Kryachko",
title = "Homogeneity characteristic of molecular electronic
energies",
journal = j-IJQC,
volume = "22",
number = "3",
pages = "661--662",
month = sep,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220316",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Vassileva:1982:FIC,
author = "Julia G. Vassileva",
title = "The fourth international colloquium on physical and
chemical information transfer in the regulation of
reproduction and ageing",
journal = j-IJQC,
volume = "22",
number = "3",
pages = "663--663",
month = sep,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220317",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1982:Mi,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "22",
number = "3",
pages = "fmi--fmi",
month = sep,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220301",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sun:1982:SAC,
author = "Chia-Chung Sun and Jing-Chang Zhang and Guang-Zhu Jin
and Wei-Guo Sun",
title = "Symmetry analysis of cycloadditions and electrocyclic
reactions",
journal = j-IJQC,
volume = "22",
number = "4",
pages = "665--679",
month = oct,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220402",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Smeyers:1982:FCI,
author = "Y. G. Smeyers and A. Hern{\'a}ndez-Laguna",
title = "Further calculations on the internal rotation spectrum
of phenol",
journal = j-IJQC,
volume = "22",
number = "4",
pages = "681--690",
month = oct,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220403",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ruelle:1982:EPA,
author = "P. Ruelle and C. Sandorfy",
title = "Electrostatic potential around halogenated
anesthetics. {Acidic} hydrogen; chlorine vs. fluorine",
journal = j-IJQC,
volume = "22",
number = "4",
pages = "691--707",
month = oct,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220404",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gresh:1982:TSI,
author = "Nohad Gresh and Alberte Pullman",
title = "Theoretical study of the interaction of nonactin with
{Na$^+$}, {K$^+$}, and {NH}",
journal = j-IJQC,
volume = "22",
number = "4",
pages = "709--716",
month = oct,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220405",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Avery:1982:AID,
author = "John Avery and Zhen-Yi Wen",
title = "Angular integrations in $m$-dimensional spaces and
hyperspherical harmonics",
journal = j-IJQC,
volume = "22",
number = "4",
pages = "717--738",
month = oct,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220406",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Julg:1982:TSA,
author = "Andr{\'e} Julg and Alain Allouche",
title = "Theoretical study of the adsorption of silver atoms on
the (111) face of silicon",
journal = j-IJQC,
volume = "22",
number = "4",
pages = "739--752",
month = oct,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220407",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bhattacharyya:1982:CBS,
author = "Sankar Prasad Bhattacharyya and Debashis Mukherjee and
Debendra Madhab Bhattacharyya and Priyotosh Khan",
title = "Convergence behavior of some orbital optimization
procedures",
journal = j-IJQC,
volume = "22",
number = "4",
pages = "753--759",
month = oct,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220408",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ovchinnikov:1982:PIV,
author = "A. A. Ovchinnikov and A. E. Belinskii and I. A.
Misurkin and I. I. Ukrainskii",
title = "{Peierls} instability and vibrational spectra of
polyacetylene",
journal = j-IJQC,
volume = "22",
number = "4",
pages = "761--774",
month = oct,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220409",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Banerjee:1982:MIS,
author = "Manas Banerjee and Sankar Prasad Bhattacharyya",
title = "Molecular inversion in the $n$ $\pi$* states: a
theoretical investigation of some model systems in a
semiempirical molecular orbital framework",
journal = j-IJQC,
volume = "22",
number = "4",
pages = "775--782",
month = oct,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220410",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Duch:1982:SGG,
author = "Wlodzislaw Duch and Jacek Karwowski",
title = "Symmetric group graphical approach to the direct
configuration interaction method",
journal = j-IJQC,
volume = "22",
number = "4",
pages = "783--824",
month = oct,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220411",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kventsel:1982:PMT,
author = "G. F. Kventsel",
title = "{Peierls}- and {Mott}-type instabilities in
one-dimensional chains---coexistence or contradiction",
journal = j-IJQC,
volume = "22",
number = "4",
pages = "825--835",
month = oct,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220412",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Larsson:1982:CSL,
author = "Sven Larsson and Richard Crossley",
title = "Calculation of the {$^4$S} {$^4$P$^0$} spectrum of
lithiumlike ions by the {Hylleraas} method",
journal = j-IJQC,
volume = "22",
number = "4",
pages = "837--849",
month = oct,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220413",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hashimoto:1982:RCS,
author = "Katsufumi Hashimoto",
title = "Relation of the charge and spin correlation functions
to the structures of $\pi$ electron wave functions in
alternant hydrocarbons",
journal = j-IJQC,
volume = "22",
number = "4",
pages = "851--862",
month = oct,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220414",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1982:Mj,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "22",
number = "4",
pages = "fmi--fmii",
month = oct,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220401",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:40 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Minaev:1982:QCC,
author = "B. F. Minaev and Z. M. Muldahmetov and I. S. Irgibaeva
and T. O. Tlepbergenov and D. M. Kizhner",
title = "Quantum chemical calculation of phosphorescence
microwave double resonance spectra",
journal = j-IJQC,
volume = "22",
number = "5",
pages = "863--869",
month = nov,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220502",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ghosh:1982:QFD,
author = "S. K. Ghosh and B. M. Deb",
title = "Quantum fluid dynamics of many-electron systems in
three-dimensional space",
journal = j-IJQC,
volume = "22",
number = "5",
pages = "871--888",
month = nov,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220503",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Luken:1982:ESO,
author = "William L. Luken",
title = "Evaluation of the second-order reduced density matrix
for correlated electronic wave functions",
journal = j-IJQC,
volume = "22",
number = "5",
pages = "889--902",
month = nov,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220504",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Trsic:1982:ESB,
author = "Milan Trsic and Kim Wagstaff and William G. Laidlaw",
title = "Electronic structure and bonding of the pentasulfur
hexanitride {(S$_5$N$_6$)} molecule",
journal = j-IJQC,
volume = "22",
number = "5",
pages = "903--910",
month = nov,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220505",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Stolarczyk:1982:DCL,
author = "Leszek Z. Stolarczyk and Lucjan Piela",
title = "Direct calculation of lattice sums. {A} method to
account for the crystal field effects",
journal = j-IJQC,
volume = "22",
number = "5",
pages = "911--927",
month = nov,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220506",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Surjan:1982:CAB,
author = "Peter R. Surj{\'a}n and G{\'a}bor N{\'a}ray-Szab{\'o}
and Istv{\'a}n Mayer",
title = "Conformational analysis by bond orbitals with
delocalization corrections: {Rotation} of the ser-195
side chain in $\alpha$-chymotrypsin",
journal = j-IJQC,
volume = "22",
number = "5",
pages = "929--938",
month = nov,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220507",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bohm:1982:REP,
author = "Michael C. B{\"o}hm",
title = "Reorganization effects in the photoelectron spectra of
transition metal compounds: {A Green}'s function study
in the framework of a variable {INDO} {Hamiltonian}",
journal = j-IJQC,
volume = "22",
number = "5",
pages = "939--970",
month = nov,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220508",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Olson:1982:ESR,
author = "John A. Olson and David A. Micha",
title = "Electronic state representations at molecular
potential pseudocrossings",
journal = j-IJQC,
volume = "22",
number = "5",
pages = "971--988",
month = nov,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220509",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Alonso:1982:SAR,
author = "J. A. Alonso and D. J. Gonz{\'a}lez and L. C.
Balb{\'a}s",
title = "Study of an approximate relation between the energy of
an atom and the electronic potential at the nucleus",
journal = j-IJQC,
volume = "22",
number = "5",
pages = "989--997",
month = nov,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220510",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Besnainou:1982:CMA,
author = "Sylvette Besnainou and James Stone and Jean-Claude
Diels",
title = "Coherent multiphoton absorption: {Dependency} on the
relative phase of two successive pulses",
journal = j-IJQC,
volume = "22",
number = "5",
pages = "999--1003",
month = nov,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220511",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Donnamaria:1982:CDS,
author = "Maria C. Donnamaria and Eduardo A. Castro and
Francisco M. Fern{\'a}ndez",
title = "Calculation of diamagnetic susceptibilities from the
{Thomas--Fermi--Amaldi} theory for ions",
journal = j-IJQC,
volume = "22",
number = "5",
pages = "1005--1011",
month = nov,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220512",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Balasubramanian:1982:SOG,
author = "K. Balasubramanian",
title = "Symmetry operators of generalized wreath products and
their applications to chemical physics",
journal = j-IJQC,
volume = "22",
number = "5",
pages = "1013--1031",
month = nov,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220513",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Karadakov:1982:NDS,
author = "P. Karadakov and O. Casta{\~n}o",
title = "New derivation of (in)stability conditions for
projected {Hartree--Fock} solutions",
journal = j-IJQC,
volume = "22",
number = "5",
pages = "1033--1036",
month = nov,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220514",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kaur:1982:DSC,
author = "Livjeet Kaur",
title = "Diamagnetic shielding constants of first-row atoms:
{Studies} with a piecewise exponentially decaying
electron density function",
journal = j-IJQC,
volume = "22",
number = "5",
pages = "1037--1039",
month = nov,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220515",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Schlegel:1982:IMO,
author = "H. Bernhard Schlegel",
title = "Ab initio molecular orbital study of the tautomerism
of 4-hydroxy-2-pyridinone",
journal = j-IJQC,
volume = "22",
number = "5",
pages = "1041--1047",
month = nov,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220516",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Nguyen-Dang:1982:SPL,
author = "T. T. Nguyen-Dang and R. F. W. Bader and H.
Ess{\'e}n",
title = "Some properties of the {Lagrange} multiplier $\mu$ in
density functional theory",
journal = j-IJQC,
volume = "22",
number = "5",
pages = "1049--1058",
month = nov,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220517",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cowan:1982:SSB,
author = "Jack D. Cowan",
title = "Spontaneous symmetry breaking in large scale nervous
activity",
journal = j-IJQC,
volume = "22",
number = "5",
pages = "1059--1082",
month = nov,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220518",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Calais:1982:BRBa,
author = "Jean-Louis Calais",
title = "Book Review: {{\booktitle{Quantum dynamics of
molecules: The new experimental challenge to
theorists}}. Edited by R. G. Woolley. NATO Advanced
Study Institute Series B57, Plenum, New York and
London, 1980}",
journal = j-IJQC,
volume = "22",
number = "5",
pages = "1083--1084",
month = nov,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220519",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Woolley:1980:QDM}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Calais:1982:BRBb,
author = "Jean-Louis Calais",
title = "Book Review: {{\booktitle{Spin Eigenfunctions:
Construction and use}}. By Ruben Pauncz. Plenum, New
York and London, 1979}",
journal = j-IJQC,
volume = "22",
number = "5",
pages = "1083--1084",
month = nov,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220520",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Pauncz:1979:SEC}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1982:Mk,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "22",
number = "5",
pages = "fmi--fmii",
month = nov,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220501",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Payne:1982:MEF,
author = "Philip W. Payne",
title = "Matrix element factorization in the unitary group
approach for configuration interaction calculations",
journal = j-IJQC,
volume = "22",
number = "6",
pages = "1085--1152",
month = dec,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220602",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Muszynska:1982:BAP,
author = "J. Muszy{\'n}ska and D. Papierowska and J. Pipin and
W. Wo{\'z}nicki",
title = "Bounds to atomic properties: {Electric}
polarizabilities of lithium isoelectronic sequence
ions",
journal = j-IJQC,
volume = "22",
number = "6",
pages = "1153--1175",
month = dec,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220603",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Panin:1982:MRCb,
author = "A. I. Panin",
title = "Method of recurrent construction of {L{\"o}wdin}
spin-adapted wave functions. {II}. {Local}
representation of creation--annihilation operators",
journal = j-IJQC,
volume = "22",
number = "6",
pages = "1177--1188",
month = dec,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220604",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mohammad:1982:THB,
author = "S. Noor Mohammad and A. J. Hopfinger",
title = "Treatment of hydrogen bonding within {CNDO/2} and
{MINDO} \slash 3: {CNDO \slash 2H} and {MINDO \slash
3H}",
journal = j-IJQC,
volume = "22",
number = "6",
pages = "1189--1207",
month = dec,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220605",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sun:1982:SAS,
author = "Chia-Chung Sun and Wei-Guo Sun and Jing-Chang Zhang
and Guang-Zhu Jin",
title = "Symmetry analysis of sigmatropic rearrangements",
journal = j-IJQC,
volume = "22",
number = "6",
pages = "1209--1220",
month = dec,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220606",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowe:1982:TAK,
author = "John P. Lowe",
title = "Theoretical analysis of {K}-region and bay-region
indicators of carcinogenicity",
journal = j-IJQC,
volume = "22",
number = "6",
pages = "1221--1247",
month = dec,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220607",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Magnoli:1982:OSC,
author = "Douglas E. Magnoli and Joseph R. Murdoch",
title = "Obtaining self-consistent wave functions which
satisfy the virial theorem",
journal = j-IJQC,
volume = "22",
number = "6",
pages = "1249--1262",
month = dec,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220608",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Requena:1982:PRR,
author = "A. Requena and R. Pe{\~n}a and A. Serna",
title = "Perturbation for a rigid rotator in an electric
field",
journal = j-IJQC,
volume = "22",
number = "6",
pages = "1263--1270",
month = dec,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220609",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Politzer:1982:CPS,
author = "Peter Politzer and Timothy R. Proctor",
title = "Calculated properties of some possible vinyl chloride
metabolites",
journal = j-IJQC,
volume = "22",
number = "6",
pages = "1271--1279",
month = dec,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220610",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Paldus:1982:CAF,
author = "J. Paldus and M. J. Boyle",
title = "Cluster analysis of the full configuration interaction
wave functions of cyclic polyene models",
journal = j-IJQC,
volume = "22",
number = "6",
pages = "1281--1305",
month = dec,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220611",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lipkowitz:1982:A,
author = "K. B. Lipkowitz and D. B. Boyd",
title = "Announcement",
journal = j-IJQC,
volume = "22",
number = "6",
pages = "1307--1307",
month = dec,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220612",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1982:Ml,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "22",
number = "6",
pages = "fmi--fmii",
month = dec,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220601",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Urry:1982:HEC,
author = "Dan W. Urry",
title = "{Henry Eyring} (1901--1981): {A} 20th-century
architect of cathedrals of science",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "1--3",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220702",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lowe:1982:TSR,
author = "John P. Lowe",
title = "Theoretical study of relations between bay-region and
{K}-region indices of carcinogenicity",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "5--13",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220703",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Bakale:1982:QEA,
author = "George Bakale and Richard D. McCreary and Earle C.
Gregg",
title = "Quasifree electron attachment to carcinogens",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "15--25",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220704",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Szent-Gyorgyi:1982:BOC,
author = "Albert Szent-Gy{\"o}rgyi",
title = "Biological oxidation and cancer",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "27--30",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220705",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Urry:1982:MSI,
author = "Dan W. Urry and Tina L. Trapane and Kari U. Prasad",
title = "Molecular structure and ionic mechanisms of an
ion-selective transmembrane channel: {Monovalent}
versus divalent cation selectivity",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "31--40",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220706",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Denner:1982:PTB,
author = "V. Denner and F. Kaiser",
title = "Phase transition behavior of a greater membrane
model",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "41--57",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220707",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Findley:1982:GGC,
author = "A. M. Findley and G. L. Findley",
title = "The generalized genetic code. {A} note on
order-isomorphism\slash order-equivalence relations",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "59--63",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220708",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Sarma:1982:SDD,
author = "Ramaswamy H. Sarma",
title = "Structures of {DNA} double helix",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "65--80",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220709",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Pack:1982:TIE,
author = "George R. Pack",
title = "Theory of ion effects on {DNA} conformation: {A}
high-salt model",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "81--101",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220710",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Corbin:1982:MEP,
author = "Sylvie Corbin and Richard Lavery and Bernard
Pullman",
title = "The molecular electrostatic potential of {DNA}: {The}
effect of countercation screening on various
allomorphic forms",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "103--110",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220711",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Broch:1982:EPS,
author = "H. Broch and D. Cabrol and D. Vasilescu",
title = "Electrostatic properties of some sulfur-containing
radioprotectors",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "111--123",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220712",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Hingerty:1982:BDA,
author = "B. E. Hingerty and S. Broyde",
title = "Base displacement in {AAF} and {AF} modified {dCpdG}:
{\em syn\/} and {\em anti\/} guanine",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "125--136",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220713",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Gascoyne:1982:FRP,
author = "Peter R. C. Gascoyne and Martyn C. R. Symons and Jane
A. Mclaughlin and Albert Szent-Gy{\"o}rgyi",
title = "Free radicals produced in the interaction of cysteine
with carbonyls of biological relevance",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "137--143",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220714",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Saran:1982:SIS,
author = "Anil Saran and M. M. Dhingra",
title = "Structure of the intermediate species of the
photoreaction cycle of rhodopsin",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "145--156",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220715",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Oie:1982:SCS,
author = "Tetsuro Oie and Gerald M. Maggiora and Ralph E.
Christoffersen",
title = "Structural characterization of a special-pair
chlorophyll dimer model of {P700}",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "157--171",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220716",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Hochmann:1982:IEC,
author = "P. Hochmann and S. P. Mcglynn and G. L. Findley",
title = "Ionization energy correlations for alkyl-substituted
chromophores",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "173--179",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220717",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Matsuno:1982:TCP,
author = "Koichiro Matsuno",
title = "A theoretical construction of protobiological
synthesis: {From} amino acids to functional
protocells",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "181--193",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220718",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Fox:1982:UEP,
author = "Sidney W. Fox and Tadayoshi Nakashima and Aleksander
Przybylski and Robert M. Syren",
title = "The updated experimental proteinoid model",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "195--204",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220719",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Nichols:1982:ESI,
author = "David E. Nichols and Herschel J. R. Weintraub",
title = "Effects of steric interactions on models of
charge-transfer complexes: {A} preliminary report",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "205--211",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220720",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Clement:1982:CTN,
author = "Enrico Clement and Giorgina Corongiu",
title = "Charge transfer in nucleic acids",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "213--221",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220721",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Oie:1982:ISC,
author = "Tetsuro Oie and Gilda H. Loew and Stanley K. Burt and
J. Stephen Binkley and Robert D. MacElroy",
title = "Ab initio study of catalyzed and uncatalyzed amide
bond formation as a model for peptide bond formation:
{Ammonia}-formic acid and ammonia-glycine reactions",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "223--245",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220722",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Saran:1982:MOS,
author = "Anil Saran and Lalit N. Patnaik",
title = "Molecular orbital studies on nucleoside antibiotics.
{VI}. {Conformation} of 5-vinyl- and
5-ethynyl-$2^\prime$-deoxyuridines",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "247--257",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220723",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Hariharan:1982:QCC,
author = "P. C. Hariharan and Victor Lewchenko and Walter S.
Koski and Joyce J. Kaufman",
title = "Quantum chemical calculations for understanding and
predicting toxicity. {I}. {Ab} initio {MODPOT\slash
VRDDO} calculations and electrostatic molecular
potential contour maps of organophosphorus
anticholinesterases",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "259--274",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220724",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lewchenko:1982:QCC,
author = "Victor Lewchenko and P. C. Hariharan and Walter S.
Koski and Joyce J. Kaufman",
title = "Quantum chemical calculations for understanding and
predicting toxicity. {II}. {The} phosphorylation step
in the inhibition of ache by organophosphorus
anticholinesterases",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "275--280",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220725",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kothekar:1982:CQC,
author = "V. Kothekar",
title = "Conformational and quantum chemical studies on
prostaglandins",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "281--288",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220726",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lozes:1982:LEE,
author = "Richard L. Lozes and John R. Sabin",
title = "Localized electronic excitation in a hydrogen bond",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "289--296",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220727",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Sapse:1982:ISR,
author = "Anne Marie Sapse and Grace Snyder",
title = "An ab initio study of the reaction pathway between a
mitomycin fragment model and ammonia",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "297--305",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220728",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Politzer:1982:SRP,
author = "Peter Politzer and Winston L. Hedges",
title = "A study of the reactive properties of the chlorinated
ethylenes",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "307--319",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220729",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Spark:1982:CAF,
author = "M. J. Spark and D. A. Winkler and P. R. Andrews",
title = "Conformational analysis of folates and folate
analogues",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "321--333",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220730",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Brandt:1982:PTS,
author = "Richard B. Brandt and Mark E. Brandt and Michael E.
April and Colin Thomson",
title = "Potential transition-state inhibitors of glyoxalase.
{I}",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "335--343",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220731",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Andrews:1982:DTS,
author = "P. R. Andrews and M. N. Iskander and G. P. Jones and
D. A. Winkler",
title = "Design of transition-state analogues for
{GABA}-transaminase",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "345--353",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220732",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Venanzi:1982:SEE,
author = "Carol A. Venanzi and Harel Weinstein and Georgina
Corongiu and Enrico Clementi",
title = "The solvent effect in enzyme--substrate interactions:
{Models} of carboxypeptidase",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "355--365",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220733",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Behi:1982:EDH,
author = "Joy Behi and Stephen Bone and Hywel Morgan and Ronald
Pethig",
title = "Effect of deuterium-hydrogen exchange on the
electrical conduction in lysozyme",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "367--374",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220734",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Sibert:1982:LME,
author = "Edwin L. {Sibert III} and John S. Hutchinson and
William P. Reinhardt and James T. Hynes",
title = "Local mode energy transfer: {Ebb} and flow",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "375--383",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220735",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Larsson:1982:ETB,
author = "Sven Larsson",
title = "Electron transfer in biological systems",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "385--397",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220736",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Pohl:1982:NCE,
author = "Herbert A. Pohl",
title = "Natural cellular electrical resonances",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "399--409",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220737",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Zakrzewska:1982:DEP,
author = "K. Zakrzewska and A. Pullman",
title = "The dependence of the electrostatic properties of
model phospholipid monolayers on their molecular
organization",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "411--424",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220738",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Anonymous:1982:Ad,
author = "Anonymous",
title = "Abstracts",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "425--427",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220739",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Anonymous:1982:Mm,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "22",
number = "S9",
pages = "fmi--fmi",
day = "4--6",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220701",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:37 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Raveche:1982:DJM,
author = "Harold J. Ravech{\'e}",
title = "Dedication to {Joseph E. Mayer}",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "2--13",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220802",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Friedman:1982:OR,
author = "Bengt Friedman",
title = "Opening remarks",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "15--17",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220803",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Band:1982:IDC,
author = "William Band",
title = "Introduction to {Dr. Chen-Ning Yang}",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "19--19",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220804",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Yang:1982:JMS,
author = "Chen-Ning Yang",
title = "{Joseph Mayer} and statistical mechanics",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "21--24",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220805",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kubo:1982:FRR,
author = "Ryogo Kubo",
title = "Fluctuation, response, and relaxation: {The} linear
response theory revisited",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "25--32",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220806",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Percus:1982:NFG,
author = "J. K. Percus",
title = "Nonuniform fluids in the grand canonical ensemble",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "33--48",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220807",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Alder:1982:CSP,
author = "B. J. Alder and D. M. Ceperley and E. L. Pollock",
title = "Computer simulation of phase transitions in classical
and quantum systems",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "49--61",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220808",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Dorfman:1982:VEE,
author = "J. R. Dorfman and E. G. D. Cohen",
title = "The virial expansion in equilibrium and nonequilibrium
statistical mechanics",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "63--81",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220809",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Marchetti:1982:NIF,
author = "M. Christina Marchetti and James W. Dufty",
title = "Nonlinear irreversible fluxes in a fluid with large
shear rate",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "83--89",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220810",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Garland:1982:CSV,
author = "Gregory E. Garland and James W. Dufty",
title = "Computer simulation of the velocity autocorrelation
function at low density",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "91--100",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220811",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{VanKampen:1982:CED,
author = "N. G. {Van Kampen}",
title = "Cluster expansions for diffusion-controlled
reactions",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "101--115",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220812",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Rajabali:1982:GKH,
author = "Gholomabbas Rajabali and Robert M. Mazo",
title = "Generalization of the {Kikuchi--Hijmans--de Boer}
method for order-disorder problems to complex
lattices",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "117--123",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220813",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Band:1982:PIM,
author = "William Band",
title = "Physical interpretation of the mathematical
singularities in the continuum strain fields
conventionally associated with crystal lattice
dislocations",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "125--136",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220814",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Stillinger:1982:SIB,
author = "F. H. Stillinger",
title = "Structure of the interface between coexisting fluid
phases",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "137--147",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220815",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Isihara:1982:CIP,
author = "A. Isihara and L. Ioriatti",
title = "Correlation-induced phase transitions in
two-dimensional electron systems",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "149--158",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220816",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Hecht:1982:PTD,
author = "C. E. Hecht and D. Henderson and A. Tani",
title = "Perturbation theory for dipolar hard spheres",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "159--165",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220817",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Tabor:1982:ASI,
author = "Michael Tabor",
title = "Analytic structure and integrability of dynamical
systems",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "167--181",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220818",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lippert:1982:QSE,
author = "E. Lippert and C. A. Chatzidimitriou-Dreismann",
title = "A quantum statistical estimation of the amount of
energy dissipated by molecular relaxation processes in
liquids",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "183--194",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220819",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Chatzidimitriou-Dreismann:1982:RPQ,
author = "C. A. Chatzidimitriou-Dreismann and E. Lippert",
title = "On the removal of {Prigogine}'s quantum statistical
``degeneracy'' in the theory of molecular systems",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "195--204",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220820",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Naghizadeh:1982:MSC,
author = "J. Naghizadeh",
title = "Melting of short-chain polymers",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "205--214",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220821",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Laurenzi:1982:IME,
author = "B. J. Laurenzi and C. Litto",
title = "Isoelectronic molecules: {The} 13-, 14-, and 22-
electron diatomic sequences",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "215--226",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220822",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Careri:1982:PFI,
author = "Giorgio Careri",
title = "Periodic flow instabilities in the wake of an ion",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "227--236",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220823",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Fisher:1982:FCN,
author = "Michael E. Fisher",
title = "Fluid criticality near walls and between plates",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "237--240",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220824",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Bleick:1982:NCT,
author = "W. E. Bleick",
title = "New coordinates for three-body problems",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "241--245",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220825",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lim:1982:EFE,
author = "T. K. Lim",
title = "Excess free energy changes for binary mixed
electrolytes at vanishing ionic strengths",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "247--257",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220826",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lim:1982:WHC,
author = "T. K. Lim and C. G. Jesudason",
title = "{Waller--Hartree} {CI} calculations",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "259--264",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220827",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Luken:1982:MFH,
author = "William L. Luken and John C. Culberson",
title = "Mobility of the {Fermi} hole in a single-determinant
wavefunction",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "265--276",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220828",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Weatherford:1982:KVP,
author = "Charles A. Weatherford",
title = "{Kohn} variational principle for a sphere of arbitrary
radius",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "277--284",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220829",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Curtiss:1982:IMO,
author = "L. A. Curtiss and A. Heinricher",
title = "ab initio molecular orbital studies of
the structure and stability of the
{BeAl$_2$F$_8$} complex",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "285--291",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220830",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kobeissi:1982:SEE,
author = "Hafez Kobeissi",
title = "Separate eigenvalue equations for the rotational
constants for any potential in diatomic molecules",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "293--300",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220831",
ISSN = "0020-7608 (print), 1097-461x (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 JUN 2009",
}
@Article{Cullen:1982:FOC,
author = "John M. Cullen and Michael C. Zerner",
title = "Fourth-Order constant denominator perturbation
theory",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "301--317",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220832",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 JUN 2009",
}
@Article{Adams:1982:CTC,
author = "William H. Adams",
title = "Can there be a convergent perturbation theory of
intermolecular energies?",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "319--330",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220833",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Green:1982:APS,
author = "A. E. S. Green and D. E. Rio and P. F. Schippnick and
J. M. Schwartz and P. S. Ganas",
title = "Analytic phase shifts for {Yukawa} potentials",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "331--343",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220834",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Beck:1982:SNI,
author = "Donald R. Beck",
title = "On the spectrum of negative ions and the charge
density of the ground state of neutral neon",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "345--355",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220835",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Sabljic:1982:SRT,
author = "Aleksandar Sablji{\'c} and Abe Auerbach and Ruth
McDiarmid",
title = "Symmetry of {Rydberg} transitions in
1,4-cyclohexadiene: {Multiphoton} ionization
investigation",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "357--362",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220836",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Hariharan:1982:IMV,
author = "P. C. Hariharan and Walter S. Koski and Joyce J.
Kaufman and Richard S. Miller and Alfred H. Lowrey",
title = "Ab {Initio MODPOT\slash VRDDO\slash MERGE}
calculations on energetic compounds. {II}.
{Nitroexplosives}: {RDX} and $\alpha$-, $\beta$- and
{$\delta$-HMX}",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "363--375",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220837",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Swaminathan:1982:SCE,
author = "P. K. Swaminathan and David A. Micha",
title = "A self-consistent eikonal treatment of
photodissociation by visible radiation",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "377--390",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220838",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Duke:1982:SIM,
author = "Brian J. Duke",
title = "Simulated ab initio molecular orbital methods for
polymers",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "391--407",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220839",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Clementi:1982:TCC,
author = "E. Clementi and G. Corongiu and M. Gratarola and P.
Habitz and C. Lupo and P. Otto and D. Vercauteren",
title = "Theoretical and computational chemistry of complex
systems: {Solvation} of {DNA} and proteins",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "409--433",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220840",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Chuljian:1982:IET,
author = "D. T. Chuljian and J. Ozment and J. Simons",
title = "Intramolecular energy transfer and predissociation in
{C}-state {HCN}",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "435--444",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220841",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Alexander:1982:ICH,
author = "S. A. Alexander and F. A. Matsen",
title = "Ab initio calculations of {H$_2$O $\rightarrow$ OH $+$
H}",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "445--450",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220842",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Woodruff:1982:ECL,
author = "Truman O. Woodruff",
title = "Excitation of core levels in nonmetallic solids:
{Some} theoretical problems",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "451--456",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220843",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Csavinszky:1982:NSP,
author = "P. Csavinszky and K. R. Brownstein",
title = "Nonlinear screening of positive and negative point
charges in {GaAs}",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "457--462",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220844",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Bonchev:1982:CIT,
author = "D. Bonchev and N. Trinajsti{\'c}",
title = "Chemical information theory: {Structural} aspects",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "463--480",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220845",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Oriade:1982:PRW,
author = "J. O. Oriade",
title = "Product representation weights for {Brillouin} zone
integrals in the biquadratic limit",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "481--484",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220846",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lowdin:1982:OSH,
author = "Per-Olov L{\"o}wdin",
title = "On operators, superoperators, {Hamiltonians}, and
{Liouvillians}",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "485--560",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220847",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Laidig:1982:LOC,
author = "William D. Laidig and George D. {Purvis III} and
Rodney J. Bartlett",
title = "Localized orbitals in the coupled cluster singles and
doubles model",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "561--573",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220848",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Simons:1982:EPS,
author = "Jack Simons",
title = "Electron propagator studies of molecular anions",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "575--581",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220849",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Oddershede:1982:RBP,
author = "Jens Oddershede",
title = "On the relations between the polarization propagator,
the principal propagator, and the particle-hole
propagator",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "583--589",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220850",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Goscinski:1982:AGP,
author = "Osvaldo Goscinski",
title = "Antisymmetrized geminal power {(AGP)} wave-functions
in finite and extended systems",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "591--603",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220851",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kurtz:1982:CGA,
author = "Henry A. Kurtz and Nils Elander",
title = "On the calculation of generalized antisymmetric
geminal power {(GAGP)} wavefunctions",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "605--614",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220852",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Jensen:1982:PPO,
author = "H. J. A. A. Jensen and B. Weiner and J. V. Ortiz and
Y. {\"O}hrn",
title = "A powerful procedure for optimizing {AGP} states",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "615--631",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220853",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Born:1982:OME,
author = "Gregory Born",
title = "{${\rm U}(n)$} operator manifolds for electron
propagator applications",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "633--639",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220854",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Winkler:1982:PVD,
author = "Peter Winkler",
title = "Propagator version of the direct {Siegert} method",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "641--648",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220855",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kaufman:1982:CSU,
author = "Joyce J. Kaufman",
title = "Computational strategy using improved virtual orbitals
to ensure orthogonality of excited states to the ground
state and to each other for calculation of transition
matrix elements",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "649--651",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220856",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Donnelly:1982:CRP,
author = "Robert A. Donnelly",
title = "Coordinate-rotated propagator calculation on an
{N$_2$} shape resonance",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "653--659",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220857",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Oriade:1982:ESE,
author = "Joseph Oriade",
title = "Evaluation of a self-energy graph for the homogeneous
electron gas",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "661--664",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220858",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Yaris:1982:PMP,
author = "Robert Yaris",
title = "Propagators in a model of polymer dynamics: {The}
inclusion of chain--chain interactions in a model of
polymer local main chain motion",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "665--665",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220859",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Nagel:1982:SRR,
author = "Bengt Nagel",
title = "Some results on the relation between two projectors in
{Hilbert} space",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "666--666",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220860",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Datta:1982:CNI,
author = "Sunil K. Datta",
title = "Changes in the Near {IR} Spectra of {CoXF$_6$},
{6R$_2$O (X $=$ Si, Ti; R $=$ H, D)} During Phase
Transition",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "667--667",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220861",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Guberman:1982:DEA,
author = "Steven L. Guberman",
title = "The doubly excited autoionizing states of {H$_2$}",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "668--668",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220862",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Tatar:1982:ACP,
author = "Robert C. Tatar and Sohrab Rabii",
title = "Application of configuration propagator theory to
graphite intercalation compounds",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "669--670",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220863",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Buff:1982:SDG,
author = "Frank P. Buff",
title = "Shape dependence of the grand potential",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "671--671",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220864",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Anonymous:1982:Mn,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "22",
number = "S16",
pages = "fmi--fmi",
day = "1--13",
month = mar,
year = "1982",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560220801",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 14:59:40 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Theory of Condensed Matter, and
Propagator Methods in the Quantum Theory of Matter.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Deb:1983:NMD,
author = "B. M. Deb and S. K. Ghosh",
title = "New method for the direct calculation of electron
density in many-electron systems. {I}. {Application} to
closed-shell atoms",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "1--26",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230104",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fukutome:1983:CBC,
author = "Hideo Fukutome and Katsufumi Hashimoto",
title = "Characterization of bond and current correlation
structures in a molecular many-electron wave function",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "27--45",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230105",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Brickmann:1983:QDW,
author = "J{\"u}rgen Brickmann and Peter C. Schmidt",
title = "Quantum dynamics of wave packets on phase space cells
in nonlinearly coupled oscillators",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "47--63",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230106",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jensen:1983:APC,
author = "Hans J{\o}rgen Aa. Jensen and Brian Weiner and Yngve
{\"O}hrn",
title = "{AGP} {Propagator} calculations",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "65--70",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230107",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Baba-Ahmed:1983:IJU,
author = "A. Baba-Ahmed and J. Gayoso",
title = "Integrals {I$_{rs}$} and {J$_{rs}$} used in the
computation of magnetic quantities by means of the
{McWeeny} coupled perturbation method",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "71--80",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230108",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Datzeff:1983:SE,
author = "A. B. Datzeff",
title = "Structure of the electron",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "81--84",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230109",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Frishberg:1983:DME,
author = "C. Frishberg and L. Massa",
title = "Density matrix equation for crystals",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "85--89",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230110",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Froelich:1983:SAP,
author = "Piotr Froelich and Erkki Br{\"a}ndas",
title = "Some analytical properties of the dilated {SCF
Equations}",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "91--98",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230111",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Thomas:1983:CLQ,
author = "L. H. Thomas",
title = "Classical limit of quantum mechanics in the large",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "99--113",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230112",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kibler:1983:CGC,
author = "M. R. Kibler",
title = "{Clebsch--Gordan} coefficients for chains of groups of
interest in quantum chemistry. {III}. {The} point
symmetry groups",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "115--125",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230113",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ludenta:1983:TFT,
author = "Eduardo V. Lude{\~n}ta",
title = "{Thomas--Fermi} term as the simplest correction to the
{Weizsacker} term",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "127--133",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230114",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hermann:1983:LPL,
author = "M. R. Hermann and P. W. Langhoff",
title = "{L}{\"o}wdin partitioning in a {Lanczos} basis:
{Applications} to scattering states",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "135--146",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230115",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sadlej:1983:CEE,
author = "Andrzej J. Sadlej",
title = "Correlation effects in externally perturbed
many-electron systems",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "147--167",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230116",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sun:1983:LGU,
author = "Chia-Chung Sun and Yan-De Han and Be-Fu Li and
Qian-Shu Li",
title = "Lie groups and unitary transformations in ligand field
theory",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "169--183",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230117",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Phillips:1983:CPH,
author = "Philip Phillips and Ernest R. Davidson",
title = "Chemical potential for harmonically interacting
particles in a harmonic potential",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "185--194",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230118",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tachibana:1983:CSQ,
author = "Akitomo Tachibana",
title = "Concept of the ``stability'' of the quantum mechanical
state",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "195--215",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230119",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Au-Chin:1983:COU,
author = "Tang Au-Chin and Guo Hong",
title = "Characteristic operators and unitarily invariant
decomposition of {Hermitian} operators",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "217--226",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230120",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Thakkar:1983:IFC,
author = "Ajit J. Thakkar",
title = "Interatomic forces and {Compton} profiles",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "227--234",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230121",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Wagner:1983:CSH,
author = "A. J. Wagner",
title = "Comparative study of the {Hartree--Fock} and the
{Hartree--Fock--Slater} method",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "235--248",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230122",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cohen:1983:CHE,
author = "Leon Cohen and C. Frishberg",
title = "Correlation hole for an exactly solvable problem",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "249--255",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230123",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cooper:1983:EMV,
author = "Ian L. Cooper and Christopher N. M. Pounder",
title = "Effect of modified virtual orbitals on local {Coulomb}
correlation holes in {FCN}",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "257--270",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230124",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Leroy:1983:SCS,
author = "G. Leroy",
title = "Stability of chemical species",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "271--308",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230125",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Laaksonen:1983:TDFa,
author = "Leif Laaksonen and Pekka Pyykk{\"o} and Dage
Sundholm",
title = "Two-dimensional fully numerical solutions of molecular
{Schr{\"o}dinger} equations. {I}. {One}-electron
molecules",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "309--317",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230126",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Laaksonen:1983:TDFb,
author = "Leif Laaksonen and Pekka Pyykk{\"o} and Dage
Sundholm",
title = "Two-Dimensional fully numerical solutions of molecular
{Schr{\"o}dinger} equations. {II}. {Solution} of the
{Poisson} equation and results for singlet states of
{H$_2$} and {HeH$^+$}",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "319--323",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230127",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hobza:1983:VWM,
author = "P. Hobza and R. Zahradn{\'\i}k",
title = "{Van der Waals} molecules: {Quantum} chemistry,
physical properties, and reactivity",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "325--338",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230128",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1983:ECa,
author = "Pre-Olov L{\"o}wdin and John R. Sabin and Michael
Zerner",
title = "Editorial comments",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "vii--vii",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230103",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1983:P,
author = "Pre-Olov L{\"o}wdin and Jean-Louis Calais and Osvaldo
Goscinski",
title = "Preface",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "v--v",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230102",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1983:Ma,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "23",
number = "1",
pages = "fmi--fmii",
month = jan,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230101",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mayer:1983:TCH,
author = "I. Mayer",
title = "Towards a {``Chemical''} {Hamiltonian}",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "341--363",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230203",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Boucekkine-Yaker:1983:ICM,
author = "G. Boucekkine-Yaker and A. Boucekkine and M. Zaucer
and G. Berthier",
title = "Ab initio calculation of magnetic susceptibilities and
screening constants using gauge invariant {Gaussian}
orbitals",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "365--367",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230204",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Julg:1983:TNI,
author = "A. Julg and P. Julg",
title = "Towards a new interpretation of quantum mechanics?",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "369--377",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230205",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Grinberg:1983:SRH,
author = "Horacio Grinberg and Julio Mara{\~n}on and Hector
Vucetich",
title = "Some remarks on the hydrogen atom",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "379--385",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230206",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Nakatsuji:1983:FST,
author = "H. Nakatsuji and M. Hada and K. Kanda and T.
Yonezawa",
title = "Force in {SCF Theories}. {First} and second
derivatives of the potential energy hypersurface of
chemical reaction systems",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "387--397",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230207",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Guo:1983:AR,
author = "Hong Guo and Au-Chin Tang",
title = "Approach to {N} representability",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "399--404",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230208",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{McWeeny:1983:SRM,
author = "R. McWeeny",
title = "Some remarks on multiconfiguration time-dependent
{Hartree--Fock} theory",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "405--416",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230209",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Morales:1983:EPI,
author = "J. Morales and A. Palma and E. Poulain",
title = "{ESCA} {Peak} intensities in the dipole and
generalized sudden approximations using {Fourier}
transforms of {GTO}'s",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "417--423",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230210",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{CorreaDeMello:1983:CCM,
author = "Paulo {Corr{\^e}a De Mello} and W. Daniel Edwards and
Michael C. Zerner",
title = "{Cr} {Cr} multiple bonding in binuclear complexes",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "425--436",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230211",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Adams:1983:ESV,
author = "George F. Adams and David R. Yarkony and Rodney J.
Bartlett and George D. Purvis",
title = "Electronic structure and vertical excitation spectrum
of methylene amidogen {CH$_2$N}",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "437--446",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230212",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mukherjee:1983:FFC,
author = "Prasanta K. Mukherjee and Tsutomu Minato and Delano P.
Chong",
title = "Finite-field calculations of molecular
polarizabilities using field-induced polarization
functions. {II}. {Second}- and third-order perturbation
correlation corrections to the coupled {Hartree--Fock}
polarizability of {HF}",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "447--457",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230213",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chermette:1983:IRC,
author = "H. Chermette and P. Pertosa and A. Goursot and E.
Penigault",
title = "Incidence of the relativistic corrections in
electronic properties of $5d$ compounds:
{MS--X$_\alpha$} calculations on hexachloroiridates
({III} and {IV}) and tungsten trioxide",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "459--464",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230214",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Combs:1983:SMS,
author = "Leon L. Combs and Sten Lunell",
title = "{SCF} and {MC--SCF} Study of {CO$_2$} with bond angle
variation",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "465--472",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230215",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fonseca:1983:STD,
author = "Teresa Fonseca and J. A. N. F. Gomes and Paolo
Grigolini",
title = "Short-time description of chemical reaction by
{Stochastic} methods",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "473--476",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230216",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Shinagawa:1983:MGB,
author = "Yasuko Shinagawa and Seiji Koyama and Yoshiya
Shinagawa",
title = "Molecular geometry of benzosemiquinone radicals:
{Radicals} from resorcinol and its derivatives",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "477--481",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230217",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Laskowski:1983:TDX,
author = "Bernard C. Laskowski and Stephen R. Langhoff and Per
E. M. Siegbahn",
title = "Theoretical determination of the {X\,$^2\Sigma^+$} and
{A\,$^2\Pi$} potentials of {CsO} using relativistic
effective core potentials",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "483--490",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230218",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Liu:1983:TSE,
author = "Ruo-Zhuang Liu and Jian-Guo Yu",
title = "Theoretical study of the effect of substituents on
electrophilic addition to olefins: {Ab} initio {MO}
approach with energy decomposition",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "491--495",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230219",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Skala:1983:CCM,
author = "L. Sk{\'a}la",
title = "Calculation of the coherent memory functions from the
eigenvalues and eigenvectors of the corresponding
stationary {Schr{\"o}dinger} equation",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "497--505",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230220",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Smeyers:1983:PES,
author = "Yves G. Smeyers and M. Nieves Bellido",
title = "Potential energy surface determinations for nonrigid
molecules: {Application} to acetone",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "507--516",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230221",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bonacic-Koutecky:1983:ACM,
author = "V. Bona{\v{c}}i{\'c}-Kouteck{\'y} and M. Persico",
title = "Avoided crossing of molecular excited states and
photochemistry: {Butadiene} and unprotonated {Schiff}
base",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "517--533",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230222",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Klessinger:1983:FMM,
author = "Martin Klessinger",
title = "The fragments-in-molecules method. {II}. {Fim} method
for $\sigma$-bonded systems",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "535--542",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230223",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lefebvre:1983:SBS,
author = "R. Lefebvre",
title = "Symmetry broken self-consistent field approximation
for coupled oscillators",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "543--550",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230224",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Micha:1983:STC,
author = "David A. Micha",
title = "Semiclassical time-correlation function approach to
collisional energy transfer into many-atom systems",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "551--560",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230225",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Nicolaides:1983:PSC,
author = "C. A. Nicolaides and A. N. Andriotis",
title = "Photoelectron spectroscopy of chemisorbed atoms",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "561--566",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230226",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Piacentini:1983:TFA,
author = "R. D. Piacentini",
title = "Translation factors in atomic collisions",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "567--575",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230227",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Aagren:1983:CHI,
author = "Hans {\AA}gren",
title = "Core hole induced charge-transfer reactions in
disubstituted benzenes",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "577--585",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230228",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bertran:1983:WCI,
author = "J. Bertr{\'a}n and A. Lled{\'o}s and J. A.
Revetllat",
title = "Water chain intervention in hydrolytic and tautomeric
reactions",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "587--593",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230229",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bouman:1983:LSRa,
author = "Thomas D. Bouman and Aage E. Hansen and Bj{\o}rn Voigt
and Sten Rettrup",
title = "Large-scale {RPA} calculations of chiroptical
properties of organic molecules: {Program RPAC}",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "595--611",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230230",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Burton:1983:RFC,
author = "Peter G. Burton",
title = "Routes to full {CI} through extrapolation in
multireference configuration calculations for
electronic structures",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "613--623",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230231",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lee:1983:RCO,
author = "Tieh-Sheng Lee and San-Yan Chu",
title = "Reactivity comparison of one-electron and two-electron
processes",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "625--631",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230232",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fukui:1983:CNC,
author = "H. Fukui",
title = "Calculation of {NMR} chemical shifts. {III}.
{Configuration} interaction effects",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "633--637",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230233",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Larson:1983:TDD,
author = "Everett G. Larson",
title = "Time-dependent density operator in the random impulse
approximation: {I}. {Connections} with the
``generalized sudden approximation'' for
photoionization and electron impact ionization; and
{II}. {Relevance} to reduced density operators,
particle--hole matrices, and propagators for the
initial state",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "639--652",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230234",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Peel:1983:ERE,
author = "J. Barrie Peel",
title = "Electrostatic and relaxation effects in ionization of
molecular dimers and intermolecular complexes",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "653--662",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230235",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Truax:1983:TDS,
author = "D. Rodney Truax",
title = "Time-dependent {Schr{\"o}dinger} equations: {Symmetry}
breaking, separation of variables, and nonlinear
effects",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "663--678",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230236",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zivkovic:1983:HAS,
author = "Tomislav P. {\v{Z}}ivkovi{\'c}",
title = "Heats of atomization of some conjugated molecules
containing nitrogen or oxygen by a novel semiempirical
method",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "679--686",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230237",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Blomberg:1983:TAA,
author = "Clas Blomberg",
title = "Thermodynamic aspects on accuracy in the synthesis of
biomolecules",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "687--707",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230238",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chatterjee:1983:CBC,
author = "R. Chatterjee and J. A. Tuszy{\'n}ski and R. Paul",
title = "Comments on the {Bose} condensation of phonons in the
biological systems",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "709--712",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230239",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Knop:1983:CGI,
author = "J. V. Knop and K. Szymanski and {\v{Z}}.
Jeri{\v{c}}evi{\'c} and N. Trinajsti{\'c}",
title = "Computer generation and identification of carcinogenic
bay regions in benzenoid hydrocarbons",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "713--722",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230240",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Naray-Szabo:1983:ULE,
author = "G{\'a}bor N{\'a}ray-Szab{\'o}",
title = "Unusually large electrostatic field effect of the
buried aspartate in serine proteinases: {Source} of
catalytic power",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "723--728",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230241",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chojnacki:1983:IPB,
author = "H. Chojnacki and A. Sawaryn",
title = "Interaction of p-benzoquinone and mitomycin {C} with
complementary base pairs",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "729--738",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230242",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Scheiner:1983:ISP,
author = "Steve Scheiner and Ma{\l}gorzata M.
Szcz{\k{e}}l{\'s}niak and Larry D. Bigham",
title = "Ab initio study of proton transfers including effects
of electron correlation",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "739--751",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230243",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Scheiner:1983:EER,
author = "Steve Scheiner",
title = "Energetics and electronic rearrangements of proton
transfer in {(H$_3$NHOH$_2$)$^+$}",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "753--764",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230244",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tvaroska:1983:TSC,
author = "Igor Tvaro{\v{s}}ka and Tibor Ko{\v{z}}{\'a}r",
title = "Theoretical studies on the conformation of
saccharides. {V}. {Hydration} of the acetal segment in
glycosides",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "765--778",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230245",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1983:ECb,
author = "Per-Olov L{\"o}wdin and John R. Sabin and Michael
Zerner",
title = "Editorial Comments",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "vii--vii",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230202",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1983:Mb,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "23",
number = "2",
pages = "fmi--fmii",
month = feb,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230201",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:41 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Demiralp:1983:EFO,
author = "Metin Demiralp",
title = "Exponential factor optimization in characteristic
function method for electrically charged particles",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "779--787",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230303",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Olsen:1983:EHL,
author = "Jeppe Olsen and Danny L. Yeager",
title = "Effective handling of a large configuration state
function expansion for an {MCSCF} state and improved
efficiency for two-electron integral transformations in
{MCSCF}",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "789--809",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230304",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Harmalkar:1983:MSP,
author = "Anjali Harmalkar and Alfredo M. Simas and Vedene H.
{Smith, Jr.} and William M. Westgate",
title = "Momentum space properties of atoms",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "811--820",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230305",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hoinkis:1983:STI,
author = "J. Hoinkis and R. Ahlrichs and H.-J. B{\"o}hm",
title = "A simple treatment of intermolecular interactions:
{Synthesis} of ab initio calculations and combination
rules",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "821--834",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230306",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Purvis:1983:CIP,
author = "George D. {Purvis III} and Ron Shepard and Franklin B.
Brown and Rodney J. Bartlett",
title = "{C$_{2V}$} insertion pathway for {BeH$_2$}: a test
problem for the coupled-cluster single and double
excitation model",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "835--845",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230307",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sokalski:1983:ISI,
author = "W. A. Sokalski and S. Roszak and P. C. Hariharan and
Joyce J. Kaufman",
title = "Improved {SCF} interaction energy decomposition scheme
corrected for basis set superposition effect",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "847--854",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230308",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Blomberg:1983:CCC,
author = "M. Blomberg and U. Brandemark and L. Pettersson and P.
Siegbahn",
title = "Contracted {CI} calculations of models for catalytic
reactions involving transition metals",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "855--863",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230309",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rittby:1983:SVT,
author = "Magnus Rittby and Nils Elander and Erkki
Br{\"a}ndas",
title = "Scattering in view of the {Titchmarsh--Weyl} theory",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "865--874",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230310",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Langhoff:1983:UEC,
author = "Stephen R. Langhoff and Richard L. Jaffe and Delano P.
Chong",
title = "Use of effective core potentials in perturbation
corrections to the {Koopmans} theorem: {Vertical}
ionization potentials of {Cl$_2$}, {ClN$_3$}, and
{ClNCO}",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "875--886",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230311",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jug:1983:SVD,
author = "Karl Jug and P. C. Mishra",
title = "Single versus double insertion in a simple
intermolecular carbene reaction",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "887--890",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230312",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Maouche:1983:QSG,
author = "Boubekeur Maouche and Jos{\'e} Gayoso",
title = "Quantum study of the ground state of a series of
unsaturated boron--nitrogen compounds by the {MNDO}
method. {I}. {Geometries} and stabilities",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "891--904",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230313",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{England:1983:OFTa,
author = "Walter B. England",
title = "Ordinary field-theoretic methods for self-consistent
wave functions which describe bond formation and
dissociation. {II}. {Commutative} coupling case",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "905--914",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230314",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fernandez:1983:HTS,
author = "Francisco M. Fern{\'a}ndez and Eduardo A. Castro",
title = "Hypervirial theorems for some simple quantum chemistry
systems",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "915--919",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230315",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Herman:1983:RAS,
author = "Zelek S. Herman",
title = "Recent advances in simple valence-bond theory and the
theory of hybrid bond orbitals",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "921--943",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230316",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Solmajer:1983:IMI,
author = "T. {\v{S}}olmajer and M. Hodo{\v{s}}{\v{c}}ek and D.
Had{\v{z}}i",
title = "Ab initio {MO} investigation of the
ethanolamine--formic acid complex",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "945--952",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230317",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jones:1983:CGF,
author = "Herbert W. Jones",
title = "Computer-generated formulas for some three-center
molecular integrals over {Slater}-type orbitals",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "953--957",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230318",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jorgensen:1983:MHF,
author = "Poul J{\o}rgensen and Peter Swanstr{\o}m and Danny L.
Yeager and Jeppe Olsen",
title = "Multiconfigurational {Hartree--Fock} response
functions",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "959--971",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230319",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kagawa:1983:GVM,
author = "Takashi Kagawa",
title = "General variation method for the relativistic
calculations of atoms and molecules",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "973--979",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230320",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kapuy:1983:AMB,
author = "Ede Kapuy and Zolt{\'a}n Cs{\'e}pes and Cornelia
Kozmutza",
title = "Application of the many-body perturbation theory by
using localized orbitals",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "981--990",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230321",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Romano:1983:MCS,
author = "S. Romano and B. J{\"o}nsson and G. Karlstr{\"o}m",
title = "{Monte Carlo} simulations of solid nitrogen in the
isothermal--isobaric ensemble with an ab initio
{SCF--CI} potential",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "991--998",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230322",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zhenyi:1983:AUG,
author = "Wen Zhenyi",
title = "Application of the unitary group approach to crystal
field theory",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "999--1009",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230323",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Nascimento:1983:CBA,
author = "Marco Antonio Chaer Nascimento",
title = "Cumulative {B$_K$} approximation as a method to select
configurations for {CI} calculations of transition
energies",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "1011--1016",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230324",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gaspar:1983:SPT,
author = "R. G{\'a}sp{\'a}r",
title = "Scaling in pseudopotential theory",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "1017--1024",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230325",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pedrini:1983:ESL,
author = "C. Pedrini and H. Chermette",
title = "Electronic structure and luminescent properties of
{Cu$^+$} and {Ag$^+$} impurity centers in {NaCl}",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "1025--1032",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230326",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Engelmann:1983:TMS,
author = "A. R. Engelmann and R. H. Contreras",
title = "Transmission mechanisms of spin--spin coupling
constants within the {CHF} approximation: {Their} study
using inner projections of the polarization
propagator",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "1033--1045",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230327",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Elander:1983:AAW,
author = "Nils Elander and Erland Sangfelt and Henry Kurtz and
Osvaldo Goscinski",
title = "Application of {AGP} wave functions to the ground
states of {Li$_2$} and {CH$^+$}",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "1047--1056",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230328",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Altmann:1983:SDC,
author = "S. L. Altmann and A. Lapiccirella and K. W. Lodge",
title = "Structure of dislocation cores in the silicon
crystal",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "1057--1063",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230329",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Andre:1983:ECB,
author = "J. M. Andr{\'e} and J. L. Br{\'e}das and B.
Th{\'e}mans and L. Piela",
title = "Exchange, correlation, and band gaps in conjugated
linear chains",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "1065--1072",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230330",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ladik:1983:TAC,
author = "J{\'a}nos J. Ladik",
title = "Treatment of aperiodicity and correlation in
polymers",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "1073--1081",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230331",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lundqvist:1983:TSM,
author = "B. I. Lundqvist and B. Hellsing and S. Holmstr{\"o}m
and P. Nordlander and M. Persson and J. K. N{\o}rskov",
title = "Theoretical studies of molecular adsorption on metal
surfaces",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "1083--1090",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230332",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Briels:1983:HIR,
author = "W. J. Briels and J. Tennyson and M. Claessens and Th.
{Van Der Lee} and A. {Van Der Avoird}",
title = "Hindered internal rotations in {van der Waals}
molecules and molecular crystals",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "1091--1100",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230333",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tanaka:1983:ELF,
author = "Kazuyoshi Tanaka and Masataka Nagaoka and Tokio
Yamabe",
title = "Electron localization in a finite one-dimensional
chain",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "1101--1109",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230334",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Baldo:1983:ESL,
author = "Marcello Baldo and Renato Pucci and Pasquale
Tomasello",
title = "Excited states of linear polyenes in the {SCF--RPA}
method",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "1111--1119",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230335",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1983:ECc,
author = "Per-Olov L{\"o}wdin and John R. Sabin and Michael
Zerner",
title = "Editorial comments",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "v--v",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230302",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1983:Mc,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "23",
number = "3",
pages = "fmi--fmii",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230301",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kocjan:1983:CMS,
author = "D. Kocjan and T. {\v{S}}olmajer and M.
Hodo{\v{s}}{\v{c}}ek and D. Had{\v{z}}i",
title = "Conformational and {MO} studies of
hydroxy-2-aminotetralins",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1121--1133",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230404",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hegarty:1983:IEA,
author = "Dermot Hegarty and G. {Van Der Velde}",
title = "Integral evaluation algorithms and their
implementation",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1135--1153",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230405",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chao:1983:CHC,
author = "K. A. Chao and K.-F. Berggren",
title = "Clustered hydrogenic centers in impure
semiconductors",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1155--1163",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230406",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Deak:1983:CSP,
author = "P. De{\'a}k",
title = "{CNDO \slash S} parameters of {C}, {O}, and {Si} for
solid state calculations",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1165--1177",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230407",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fripiat:1983:ECL,
author = "J. G. Fripiat and J. Dehalle and J. M. Andr{\'e}",
title = "Electron correlation in linear hydrogen chains",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1179--1189",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230408",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lee:1983:SSS,
author = "D. M. Lee",
title = "Spectroscopy with sound on superfluid {$^3$He $B$}",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1191--1199",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230409",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Miyoshi:1983:ESS,
author = "Eisaku Miyoshi and Hiroshi Tatewaki and Takashi
Nakamura",
title = "Electronic structure of small copper clusters",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1201--1207",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230410",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Friedel:1983:SCU,
author = "J. Friedel and C. Noguera",
title = "Some considerations on {U$_{eff}$} values entering the
{Hubbard} {Hamiltonian}",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1209--1221",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230411",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Holzwarth:1983:EBS,
author = "N. A. W. Holzwarth and D. P. Divincenzo and R. C.
Tatar and S. Rabii",
title = "Energy-band structure and charge distribution for
{BaC$_6$}",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1223--1230",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230412",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Paul:1983:CCH,
author = "J. Paul and A. Ros{\'e}n",
title = "Cluster calculations of the {H$_2$O\slash Pt(111)}
system",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1231--1238",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230413",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Suhai:1983:PTI,
author = "S{\'a}ndor Suhai",
title = "Perturbation theoretical investigation of electron
correlation effects in infinite metallic and
semiconducting polymers",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1239--1256",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230414",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pudzianowski:1983:MSO,
author = "Andrew T. Pudzianowski and Gilda H. Loew",
title = "Mechanistic studies of oxene reactions with organic
substrates: {Reaction} paths on {MNDO} enthalpy
surfaces---models for cytochrome {P450} oxidations",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1257--1268",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230415",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lundstrom:1983:EGE,
author = "Ingemar Lundstr{\"o}m and Claes Nylander",
title = "Electrostatics and gating of excitable membranes",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1269--1282",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230416",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Shibata:1983:CTT,
author = "Masayuki Shibata and Thomas Kieber-Emmons and Robert
Rein",
title = "Comparison of theoretical and thermodynamic values of
interconstituent interactions in {DNA}",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1283--1293",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230417",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kothekar:1983:PIP,
author = "V. Kothekar and G. Bolis and Robert Rein",
title = "Possible incorporation of the purine--purine mispairs
in the {DNA} helix and the interpretation of the
transversion-type point mutations",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1295--1303",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230418",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Le-min:1983:ISE,
author = "Li Le-min and Ren Jing-Qing and Xu Guang-Xian (K. H.
Hsu) and Wang Xiu-Zhen",
title = "{INDO} {Studies} on the electronic structure of
lanthanoid compounds",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1305--1316",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230419",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Neckel:1983:RIE,
author = "A. Neckel",
title = "Recent investigations on the electronic structure of
the fourth and fifth group transition metal
monocarbides, mononitrides, and monoxides",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1317--1353",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230420",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kauder:1983:GCT,
author = "L. R. Kauder and A. K. Ray and S. B. Trickey",
title = "Generator coordinate treatment of some model periodic
systems",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1355--1361",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230421",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Stafstrom:1983:ISI,
author = "S. Stafstr{\"o}m and R. Riklund and K. A. Chao",
title = "Interacting stereo-irregular chains: a model for
conducting polymers",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1363--1383",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230422",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Davies:1983:LRS,
author = "R. H. Davies and T. R. Morris",
title = "$\beta$-Lactam ring stability and antibacterial
potency: a novel eigenvalue problem",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1385--1405",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230423",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Edwards:1983:ESM,
author = "W. Daniel Edwards and Michael C. Zerner",
title = "Electronic structure of model chlorophyll systems",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1407--1432",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230424",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Yadav:1983:CSL,
author = "Janardan Singh Yadav and Peter Luger",
title = "Conformational studies of the $\beta(1 \rightarrow 3)$
linked disaccharide component of the immunologically
active pentasaccharide of the {Forssman} antigen",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1433--1439",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230425",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Yadav:1983:QCS,
author = "Janardan Singh Yadav",
title = "Quantum chemical studies on the conformational
structure of bacterial peptidoglycan. {V}. {PCILO
Calculations} on $\beta(1 \rightarrow 4)$ linked
disaccharide of {N}-acetyl-glucosamine and {N}-acetyl
muramic acid",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1441--1450",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230426",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Corbin:1983:MEP,
author = "Sylvie Corbin and Richard Lavery and Bernard
Pullman",
title = "Molecular electrotatic potential of a triple stranded
helix: {Poly(dT)$\cdot$poly(dA)$\cdot$poly(dT)}",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1451--1461",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230427",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chaturvedi:1983:RWT,
author = "Meena Chaturvedi and Vipin Srivastava",
title = "Random-walk theory for localization",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1463--1468",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230428",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Harris:1983:EGM,
author = "Frank E. Harris",
title = "Evaluation of {GTO} molecular integrals",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1469--1478",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230429",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Qianer:1983:SDO,
author = "Zhang Qianer",
title = "Symmetry determined orbital and group overlap",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1479--1492",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230430",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hariharan:1983:IMS,
author = "P. C. Hariharan and Walter S. Koski and Joyce J.
Kaufman and Richard S. Miller",
title = "Ab initio {MODPOT} \slash {VRDDO} \slash {MERGE}
calculations on energetic compounds. {III}.
{Nitroexplosives}: {Polyaminopolynitrobenzenes}
(including {DATB}, {TATB}, and tetryl)",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1493--1504",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230431",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chatzidimitriou-Dreismann:1983:ITF,
author = "C. A. Chatzidimitriou-Dreismann",
title = "Irreversibility, time, and fluctuations in quantum
statistical theory of dissipative molecular systems.
{II}. {Application} to fluorescence spectroscopy",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1505--1516",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230432",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gubanov:1983:CXA,
author = "V. A. Gubanov and A. I. Liechtenstein and A. V.
Postnikov",
title = "Cluster {X$_\alpha$} approach to magnetic interactions
and phase transitions in solids",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1517--1528",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230433",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Peshev:1983:PFD,
author = "O. Peshev",
title = "Photoreactions on finely divided semiconductors",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1529--1533",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230434",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Blaha:1983:EDC,
author = "Peter Blaha and Karlheinz Schwarz",
title = "Electron densities and chemical bonding in {TiC},
{TiN}, and {TiO} derived from energy band
calculations",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1535--1552",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230435",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Slanina:1983:SIA,
author = "Zden{\v{e}}k Slanina",
title = "Sequential isomerism of activated complexes:
{Interfering} versus noninterfering intermediate",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1553--1561",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230436",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Slanina:1983:ACI,
author = "Zden{\v{e}}k Slanina",
title = "Adsorption-complex isomerism and quantum-chemical
studies in heterogeneous catalysis",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1563--1570",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230437",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Winkler:1983:UVP,
author = "Peter Winkler",
title = "Use of {V$^{N - 1}$} potentials in {Green}'s function
calculations",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1571--1577",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230438",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mishra:1983:TLS,
author = "R. K. Mishra and K. Bhowmik",
title = "Theory of living {State}. {VII}. {Bose--Einstein-like}
ordering in temperature and time domain",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1579--1587",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230439",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Frohlich:1983:ECE,
author = "H. Fr{\"o}hlich",
title = "Evidence for coherent excitation in biological
systems",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1589--1595",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230440",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Changying:1983:SAR,
author = "Chen Changying and Li Lemin",
title = "Structure--activity relationship and the mechanism of
analgesia of the analgesic drug 3-methyl-fentanyl and
its analogs",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1597--1608",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230441",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Liu:1983:MOS,
author = "Ruo-Zhuang Liu and Shi-Jin Zheng and Jian-Guo Yu",
title = "Molecular orbital study of the relationship between
electronic structure and toxicity of silatranes",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1609--1610",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230442",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Novaro:1983:TBN,
author = "O. Novaro",
title = "Three-body nonadditive effects for hydrogen bonded
water molecules: {SCF} study of hydrated species
including {H$_2$S} and various metal ions",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1611--1625",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230443",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Martin:1983:QCSa,
author = "M. Martin and F. Sanz and M. Campillo and L. Pardo and
J. P{\'e}rez and J. Turmo",
title = "Quantum chemical study of the molecular patterns of
{MAO} inhibitors and substrates",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1627--1641",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230444",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Martin:1983:QCSb,
author = "M. Martin and F. Sanz and M. Campillo and L. Pardo and
J. Perez and J. Turmo and J. M. Aull{\'o}",
title = "Quantum chemical structure--activity relationships on
$\beta$-carbolines as natural monoamine oxidase
inhibitors",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1643--1652",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230445",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Taylor:1983:RSP,
author = "William J. Taylor",
title = "Rayleigh--Schr{\"o}dinger perturbation theory for
many-electron systems with partitioning of
configurations by orders of excitation",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1653--1665",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230446",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Klasinc:1983:APS,
author = "L. Klasinc and B. Ru{\v{s}}{\v{c}}i{\'c} and A.
Sablji{\'c} and N. Trinajsti{\'c}",
title = "Application of photoelectron spectroscopy to
biologically active molecules and their constituent
parts. {IX}. {1,4-Benzodiazepin-2-ones}",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1667--1676",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230447",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{DeBrouckere:1983:OEP,
author = "G. {De Brouck{\'e}re}",
title = "One-electron properties at the {SCF} ab {Initio}
level",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1677--1677",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230448",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Iachello:1983:AAM,
author = "F. Iachello and R. D. Levine",
title = "Algebraic approach to molecular rotation--vibration
spectra",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1679--1681",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230449",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Seybold:1983:TDO,
author = "Paul G. Seybold",
title = "Topological determinants in organic chemistry",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1683--1683",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230450",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hotokka:1983:REH,
author = "M. Hotokka and L. Laaksonen and P. Pyykk{\"o} and A.
Viste",
title = "Relativistic extended {H{\"u}ckel} studies of cluster
models of solid {HgTe}, {CdTe}, and {PbTe}: {Densities}
of states and nuclear spin--spin coupling",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1685--1685",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230451",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Claverie:1983:IDE,
author = "Pierre Claverie",
title = "Induction and dispersion energies including charge
overlap effects: {Green's-function-type} methods",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1687--1688",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230452",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bouman:1983:LSRb,
author = "Thomas D. Bouman and Aage E. Hansen and Bj{\o}rn Voigt
and Sten Rettrup",
title = "Large-scale {RPA} calculations of chiroptical
properties of organic molecules: {Program RPAC}",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "1693--1693",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230453",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fischer-Hjalmars:1983:I,
author = "Inga Fischer-Hjalmars",
title = "Introduction",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "ix--x",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230402",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1983:ECd,
author = "Per-Olov L{\"o}wdin and John R. Sabin and Michael
Zerner",
title = "Editorial comments",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "xi--xi",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230403",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1983:Md,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "23",
number = "4",
pages = "fmi--fmii",
month = apr,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230401",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:42 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sannigrahi:1983:CES,
author = "A. B. Sannigrahi and D. C. Mukherjee and B. R. De",
title = "Calculation of excited-state properties of some small
molecules: {Comparative} study of the {CNDO/S} and
{CNDO/2}- v$_{n -1}$ potential methods",
journal = j-IJQC,
volume = "23",
number = "5",
pages = "1695--1705",
month = may,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230502",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Randic:1983:SSR,
author = "Milan Randi{\'c}",
title = "Survey of structural regularities in molecular
properties. {I}. {Carbon}-13 chemical shifts in
alkanes",
journal = j-IJQC,
volume = "23",
number = "5",
pages = "1707--1722",
month = may,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230503",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chuljian:1983:CRS,
author = "David T. Chuljian and Jack Simons",
title = "Coordinate rotation studies of {H$^-$}, {He$^-$},
{Be$^-$}, {Mg$^-$} resonances: {Basis} set and
configuration list dependence",
journal = j-IJQC,
volume = "23",
number = "5",
pages = "1723--1738",
month = may,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230504",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Watanabe:1983:IMC,
author = "Yoshitaka Watanabe and Hiroshi Kashiwagi",
title = "Ab initio {MO Calculations} of benzene + {TCNE} and
naphthalene + {TCNE} complexes with {STO-3G}
$\pi$-split basis set",
journal = j-IJQC,
volume = "23",
number = "5",
pages = "1739--1752",
month = may,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230505",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Miyoshi:1983:TSD,
author = "Eisaku Miyoshi and Shigeru Obara and Toshikazu Takada
and Hiroshi Kashiwagi and Kimio Ohno",
title = "Theoretical study of degree of covalency in some
{CoF$_6$}$(n-)$ complexes ($n = 4, 3$, and $2$)",
journal = j-IJQC,
volume = "23",
number = "5",
pages = "1753--1765",
month = may,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230506",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Katriel:1983:RES,
author = "Jacob Katriel",
title = "Reduction of the excited state into the ground state
of a super-{Hamiltonian}",
journal = j-IJQC,
volume = "23",
number = "5",
pages = "1767--1780",
month = may,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230507",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Wilson:1983:AND,
author = "S. Wilson and K. Janmkowski and J. Paldus",
title = "Applicability of non-degenerate many-body perturbation
theory to quasidegenerate electronic states: a model
study",
journal = j-IJQC,
volume = "23",
number = "5",
pages = "1781--1802",
month = may,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230508",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
xxnote = "Check name of second author??",
}
@Article{Habitz:1983:ECC,
author = "P. Habitz and P. Bagus and P. Siegbahn and E.
Clementi",
title = "Electronic correlation contribution to the three-body
potentials for water trimers",
journal = j-IJQC,
volume = "23",
number = "5",
pages = "1803--1806",
month = may,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230509",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tillieu:1983:UALa,
author = "Jacques Tillieu and Augustin {Van Groenedael}",
title = "Usage de l'alg{\`e}gbre de {Lie} ${\rm su}(n)$ dans
l'{\'e}tude des syst{\`e}mes quantiques {\`a} $n$
{\'e}tats. {I}. {Quelques} cons{\'e}quences
g{\'e}n{\'e}rales. ({French}) [{Use} of {Lie} algebra
{${\rm su}(n)$} in the study of quantum systems of $n$
states. {I}. {Some} general consequences]",
journal = j-IJQC,
volume = "23",
number = "5",
pages = "1807--1816",
month = may,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230510",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
language = "French",
onlinedate = "19 Oct 2004",
}
@Article{Tillieu:1983:UALb,
author = "Jacques Tillieu and Augustin {Van Groenendael}",
title = "Usage de l'alg{\`e}gbre de {Lie} ${\rm su}(n)$ dans
l'{\'e}tude des syst{\`e}mes quantiques {\`a} $n$
{\'e}tats. {II}. {Transformation} de l'espace des
observables, probl{\`e}mes d'{\'e}volution. ({French})
[{Use} of {Lie} algebra {${\rm su}(n)$} in the study of
quantum systems of $n$ states. {II}. {Transformation}
of the space of observables, problems of evolution]",
journal = j-IJQC,
volume = "23",
number = "5",
pages = "1817--1827",
month = may,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230511",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
language = "French",
onlinedate = "19 Oct 2004",
}
@Article{Seibert:1983:CGT,
author = "J. Seibert and N. Trinajsti{\'c}a",
title = "Chemical graph theory. {IV}. {On} the cyclic
polynomial",
journal = j-IJQC,
volume = "23",
number = "5",
pages = "1829--1841",
month = may,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230512",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gutowski:1983:IEE,
author = "Maciej Gutowski and Ma{\l}gorzata K{\k{a}}lkol and
Lucjan Piela",
title = "Importance of exchange effects in the deformation of
interacting ions",
journal = j-IJQC,
volume = "23",
number = "5",
pages = "1843--1853",
month = may,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230513",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Katriel:1983:SCI,
author = "J. Katriel and R. Pauncz and J. J. C. Mulder",
title = "Studies in the configuration interaction method. {II}.
{Generating} functions and recurrence relations for the
number of many-particle configurations",
journal = j-IJQC,
volume = "23",
number = "5",
pages = "1855--1867",
month = may,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230514",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1983:Me,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "23",
number = "5",
pages = "fmi--fmii",
month = may,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230501",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Siegbahn:1983:ECC,
author = "Per E. M. Siegbahn",
title = "The externally contracted {CI} method applied to
{N$_2$}",
journal = j-IJQC,
volume = "23",
number = "6",
pages = "1869--1889",
month = jun,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230602",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Konaka:1983:EFS,
author = "Shigehiro Konaka",
title = "Elastic forward scattering of high-energy electrons
and molecular electron density",
journal = j-IJQC,
volume = "23",
number = "6",
pages = "1891--1901",
month = jun,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230603",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chong:1983:CCE,
author = "Delano P. Chong and Tsutomu Minato and Prasanta K.
Mukherjee",
title = "Calculations of core-electron binding energies by
transition operator method followed by
{Rayleigh--Schr{\"o}dinger} perturbation theory",
journal = j-IJQC,
volume = "23",
number = "6",
pages = "1903--1914",
month = jun,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230604",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Becke:1983:HFE,
author = "A. D. Becke",
title = "{Hartree--Fock} exchange energy of an inhomogeneous
electron gas",
journal = j-IJQC,
volume = "23",
number = "6",
pages = "1915--1922",
month = jun,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230605",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lee:1983:ACI,
author = "Tieh-Sheng Lee and San-Yan Chu",
title = "Avoided crossing and intermediate states in certain
photochemical reactions",
journal = j-IJQC,
volume = "23",
number = "6",
pages = "1923--1930",
month = jun,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230606",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ulmer:1983:UTD,
author = "W. Ulmer",
title = "On a unified treatment of diffusion and kinetic
processes",
journal = j-IJQC,
volume = "23",
number = "6",
pages = "1931--1944",
month = jun,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230607",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pan:1983:SNC,
author = "Dao-Kai Pan and Ze-Fu Niu and Jian-Nan Gao and San-Lin
Liu",
title = "Some new concepts on the nature of the covalent bond
based on ab initio quantum-chemical calculations",
journal = j-IJQC,
volume = "23",
number = "6",
pages = "1945--1958",
month = jun,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230608",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Segedy:1983:CCH,
author = "John J. Segedy and Edward A. Burke",
title = "Calculation of $ns^2$ configurations for the helium
isoelectronic series without matching",
journal = j-IJQC,
volume = "23",
number = "6",
pages = "1959--1968",
month = jun,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230609",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gomez-Jeria:1983:SPQ,
author = "J. S. Gomez-Jeria",
title = "On some problems in quantum pharmacology {I}. {The}
partition functions",
journal = j-IJQC,
volume = "23",
number = "6",
pages = "1969--1972",
month = jun,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230610",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Vinszky:1983:GEC,
author = "P. Csa Vinszky and F. Vosman",
title = "Gradient expansion correction to the {Dirac} exchange
term in statistical models for the {Na} atom with shell
structure",
journal = j-IJQC,
volume = "23",
number = "6",
pages = "1973--1978",
month = jun,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230611",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Deng:1983:MHF,
author = "Conghao Deng",
title = "The modified {Hartree--Fock} self-consistent field
equation",
journal = j-IJQC,
volume = "23",
number = "6",
pages = "1979--1987",
month = jun,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230612",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1983:Mf,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "23",
number = "6",
pages = "fmi--fmii",
month = jun,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560230601",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Novosadov:1983:HLA,
author = "Boris K. Novosadov",
title = "Hydrogen-like atomic orbitals: {Addition} and
expansion theorems, integrals",
journal = j-IJQC,
volume = "24",
number = "1",
pages = "1--18",
month = jul,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240102",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Adamowicz:1983:MBS,
author = "Ludwik Adamowicz and E. A. {McCullough, Jr.}",
title = "Molecular basis set generation: {Accurate} {Slater}
basis sets for {LiH$^-$} ground and excited state and
{Li$_2^-$} ground state",
journal = j-IJQC,
volume = "24",
number = "1",
pages = "19--23",
month = jul,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240103",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Olsen:1983:SHO,
author = "Jeppe Olsen and Poul J{\o}rgensen and Danny L.
Yeager",
title = "Second- and higher-order convergence in linear and
nonlinear multiconfigurational {Hartree--Fock} theory",
journal = j-IJQC,
volume = "24",
number = "1",
pages = "25--60",
month = jul,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240104",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Csavinszky:1983:LBW,
author = "P. Csavinszky and F. Vosman",
title = "Lower bounds to the {Weizs{\"a}cker} correction in
statistical models for the {Na} atom with shell
structure",
journal = j-IJQC,
volume = "24",
number = "1",
pages = "61--64",
month = jul,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240105",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Poshusta:1983:NSP,
author = "R. D. Poshusta",
title = "Nonadiabatic {Singer} polymal wave functions for
three-particle systems",
journal = j-IJQC,
volume = "24",
number = "1",
pages = "65--77",
month = jul,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240106",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
keywords = "exponential quadratic function (polymals)",
onlinedate = "19 Oct 2004",
}
@Article{Kummel:1983:EVD,
author = "H. G. K{\"u}mmel",
title = "Expectation values and density matrices in the
{Coupled-Cluster} theory",
journal = j-IJQC,
volume = "24",
number = "1",
pages = "79--84",
month = jul,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240107",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Miyoshi:1983:TSE,
author = "Eisaku Miyoshi and Hiroshi Kashiwagi",
title = "Theoretical study of equilibrium {Co F} bond distance
of {CoF$_6^{n-}$} complexes ($n = 4, 3$, and $2$) in
crystals",
journal = j-IJQC,
volume = "24",
number = "1",
pages = "85--96",
month = jul,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240108",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hron:1983:SAG,
author = "M. Hron and M. Razavy",
title = "Some applications of the {Gel'fand--Levitan} inverse
method in atomic and molecular physics",
journal = j-IJQC,
volume = "24",
number = "1",
pages = "97--111",
month = jul,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240109",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Goldberg:1983:QMC,
author = "M. J. Goldberg and L. J. Massa",
title = "Quantum model of coherent {X}-ray diffraction:
{Extension} to {Bloch} orbitals",
journal = j-IJQC,
volume = "24",
number = "1",
pages = "113--126",
month = jul,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240110",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Leubner:1983:CFA,
author = "C. Leubner",
title = "The canonical function approach and diatomic
molecules",
journal = j-IJQC,
volume = "24",
number = "1",
pages = "127--130",
month = jul,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240111",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lipinski:1983:ASW,
author = "J{\'o}zef Lipi{\'n}ski",
title = "On the artificial structure of the water dimer in the
{CNDO\slash 2} method",
journal = j-IJQC,
volume = "24",
number = "1",
pages = "131--133",
month = jul,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240112",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pickup:1983:BRBa,
author = "Barry T. Pickup",
title = "Book Review: {{\booktitle{Quantum chemistry literature
data base bibliography of ab initio calculations for
1978--80}}. By K. Ohno and K. Morokuma, Elsevier, New
York, 1982. Vol. 12 in Physical Sciences Data. Price:
\$104.75}",
journal = j-IJQC,
volume = "24",
number = "1",
pages = "135--135",
month = jul,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240113",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See
\cite{Ohno:1982:QCLa,Ohno:1982:QCLb,Ohno:1982:QCLc,Ohno:1983:QCL,Ohno:1984:QCL,Ohno:1985:QCL,Ohno:1986:QCL,Ohno:1989:QCL}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Siegbahn:1983:BRB,
author = "Per Siegbahn",
title = "Book Review: {{\booktitle{Polyatomic molecules:
Results of ab initio calculations}}. By Robert S.
Mulliken and Walter C. Ermler, Academic Press, New
York, 1981. Price: \$49.00}",
journal = j-IJQC,
volume = "24",
number = "1",
pages = "135--135",
month = jul,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240114",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Mulliken:1981:PMR}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pickup:1983:BRBb,
author = "Barry T. Pickup",
title = "Book Review: {{\booktitle{Electrons and valence:
Development of the theory, 1900--25}}. By Anthony N.
Stranges, Texas A\&M University Press, College Station,
1982. Price: \$28.50}",
journal = j-IJQC,
volume = "24",
number = "1",
pages = "136--136",
month = jul,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240115",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Stranges:1982:EVD}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1983:A,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "24",
number = "1",
pages = "137--137",
month = jul,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240116",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1983:Mg,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "24",
number = "1",
pages = "fmi--fmii",
month = jul,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240101",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hubac:1983:PTO,
author = "Ivan Huba{\v{c}} and Petr {\v{C}}{\'a}rsky",
title = "Perturbation theory for open-shell systems:
{Simulation} of the {UHF} states by means of the
perturbed {RHF} wave functions",
journal = j-IJQC,
volume = "24",
number = "2",
pages = "141--148",
month = aug,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240202",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Starodub:1983:EPC,
author = "V. A. Starodub and T. B. Drushlyak and L. A. Sleta",
title = "Electron--phonon coupling detection in infrared
spectra of ion--radical salts based on
dibenztetrathiofulvalen",
journal = j-IJQC,
volume = "24",
number = "2",
pages = "149--159",
month = aug,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240203",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Balint:1983:CEM,
author = "I. B{\'a}lint and M. I. B{\'a}n",
title = "Comments on energy minimization in subspaces of
coordinates and on ``chemical hysteresis''",
journal = j-IJQC,
volume = "24",
number = "2",
pages = "161--167",
month = aug,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240204",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Arteca:1983:DSA,
author = "Gustavo A. Arteca and Sergio A. Maluendes and
Francisco M. Fern{\'a}ndez and Eduardo A. Castro",
title = "Discussion of several analytical approximate
expressions for the eigenvalues of the bounded harmonic
oscillator and hydrogen atom",
journal = j-IJQC,
volume = "24",
number = "2",
pages = "169--184",
month = aug,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240205",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bohm:1983:SBH,
author = "Michael C. B{\"o}hm",
title = "Symmetry breaking in the {Hartree--Fock} approximation
for binuclear transition metal compounds---a
theoretical investigation based on a variable model
operator",
journal = j-IJQC,
volume = "24",
number = "2",
pages = "185--237",
month = aug,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240206",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Froelich:1983:BRB,
author = "Piotr Froelich",
title = "Book Review: {{\booktitle{Electronic states of
molecular and atom clusters}}. By Giuseppe Del Re,
Gaston Berthier, and Josiane Serre. Lecture Notes In
Chemistry No. 13, Springer Verlag, Berlin, 1980. ISBN
3-540-09738-4. 177 pages}",
journal = j-IJQC,
volume = "24",
number = "2",
pages = "239--239",
month = aug,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240207",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{DelRe:1980:ESM}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1983:E,
author = "Anonymous",
title = "Erratum",
journal = j-IJQC,
volume = "24",
number = "2",
pages = "241--241",
month = aug,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240208",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1983:Mh,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "24",
number = "2",
pages = "fmi--fmii",
month = aug,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240201",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lieb:1983:DFC,
author = "Elliott H. Lieb",
title = "Density functionals for {Coulomb} systems",
journal = j-IJQC,
volume = "24",
number = "3",
pages = "243--277",
month = sep,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240302",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Panin:1983:MRC,
author = "A. I. Panin",
title = "Method of recurrent construction of {L{\"o}wdin}
spin-adapted wave functions. {III}. {L{\"o}wdin} basis
and its permutation symmetry: {Evaluation} of overlap
integrals",
journal = j-IJQC,
volume = "24",
number = "3",
pages = "279--306",
month = sep,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240303",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bonaccorsi:1983:UMP,
author = "R. Bonaccorsi and P. Palla and R. Cimiraglia and J.
Tomasi",
title = "On the use of a {MO} polarized basis for the analysis
of the interaction energy in molecular interactions:
{Application} to amine complexes",
journal = j-IJQC,
volume = "24",
number = "3",
pages = "307--316",
month = sep,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240304",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tang:1983:ISH,
author = "Ting-Hua Tang and Xiao-Yuan Fu",
title = "Ab initio studies of hydrogen bond formation in methyl
cyanide or methyl isocyanide and methanol systems",
journal = j-IJQC,
volume = "24",
number = "3",
pages = "317--325",
month = sep,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240305",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gustav:1983:VCE,
author = "Klaus Gustav and Roland Colditz",
title = "Vibronic coupling of electronic states. {III}. {The}
definitive breakdown of the {CBO} potential picture
within the framework of our model",
journal = j-IJQC,
volume = "24",
number = "3",
pages = "327--332",
month = sep,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240306",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Swenson:1983:LEC,
author = "Robert J. Swenson",
title = "Letter to the {Editor}: {Constraints} on boundary
conditions for enclosed systems due to real energy
eigenvalues",
journal = j-IJQC,
volume = "24",
number = "3",
pages = "333--334",
month = sep,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240307",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1983:Mi,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "24",
number = "3",
pages = "fmi--fmii",
month = sep,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240301",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kvasnicka:1983:QCC,
author = "Vladim{\'\i}r Kvasni{\v{c}}ka",
title = "Quasidegenerate coupled-cluster approach with
{Hermitian} model {Hamiltonian}",
journal = j-IJQC,
volume = "24",
number = "4",
pages = "335--344",
month = oct,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240402",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tanner:1983:DCC,
author = "A. C. Tanner and Ajit J. Thakkar",
title = "Discrete and continuum contributions to multipole
polarizabilities and shielding factors of hydrogen",
journal = j-IJQC,
volume = "24",
number = "4",
pages = "345--352",
month = oct,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240403",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lavery:1983:EPP,
author = "R. Lavery and A. Pullman and Y. K. Wen",
title = "On the electrostatic properties of papain in relation
to its enzymatic activity",
journal = j-IJQC,
volume = "24",
number = "4",
pages = "353--371",
month = oct,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240404",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Paldus:1983:BLAa,
author = "J. Paldus and E. Chin",
title = "Bond length alternation in cyclic polyenes. {I}.
{Restricted Hartree--Fock} method",
journal = j-IJQC,
volume = "24",
number = "4",
pages = "373--394",
month = oct,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240405",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Paldus:1983:BLAb,
author = "J. Paldus and E. Chin and M. G. Grey",
title = "Bond length alternation in cyclic polyenes. {II}.
{Unrestricted Hartree--Fock} method",
journal = j-IJQC,
volume = "24",
number = "4",
pages = "395--409",
month = oct,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240406",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pauncz:1983:BLA,
author = "R. Pauncz and J. Paldus",
title = "Bond length alternation in cyclic polyenes. {III}.
{Alternant} molecular orbital method",
journal = j-IJQC,
volume = "24",
number = "4",
pages = "411--423",
month = oct,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240407",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Meghezzi:1983:PAF,
author = "H. Meghezzi and A. Boucekkine and B. Kolli and M.
Hamdi",
title = "Protonation of aminopyrone: a four centers problem,
{CNDO/2} versus {MNDO} study",
journal = j-IJQC,
volume = "24",
number = "4",
pages = "425--428",
month = oct,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240408",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1983:Mj,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "24",
number = "4",
pages = "fmi--fmii",
month = oct,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240401",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anisimov:1983:ESP,
author = "F. Anisimov and R. Dagys and A. Sargautis",
title = "The electronic structure and properties of nonmetallic
rare earth monochalcogenides",
journal = j-IJQC,
volume = "24",
number = "5",
pages = "429--433",
month = nov,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240502",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Randic:1983:URW,
author = "Milan Randic and Wayne L. Woodworth and Ante
Graovac",
title = "Unusual random walks",
journal = j-IJQC,
volume = "24",
number = "5",
pages = "435--452",
month = nov,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240503",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Karadakov:1983:SPC,
author = "Peter Karadakov and Obis Casta{\~n}o",
title = "Stability properties of closed-shell restricted
{Hartree--Fock} solutions for electronic systems in the
framework of the projected {Hartree--Fock} method and
their utilization",
journal = j-IJQC,
volume = "24",
number = "5",
pages = "453--477",
month = nov,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240504",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Krechl:1983:SMS,
author = "Ji{\v{r}}{\'\i} Krechl and Josef Kuthan",
title = "Semiempirical {MO} study of pyruvate substrate
behavior in the active center of lactate
dehydrogenase",
journal = j-IJQC,
volume = "24",
number = "5",
pages = "479--489",
month = nov,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240505",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gresh:1983:TSI,
author = "Nohad Gresh and Bernard Pullman",
title = "Theoretical study of the interaction of
tetramethylammonium with double-stranded
oligonucleotides",
journal = j-IJQC,
volume = "24",
number = "5",
pages = "491--507",
month = nov,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240506",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zhixing:1983:VNR,
author = "Chen Zhixing and Hong Ruiyu and Zhang Yala",
title = "Violations of the noncrossing rule due to special
symmetry and alternance",
journal = j-IJQC,
volume = "24",
number = "5",
pages = "509--519",
month = nov,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240507",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cizek:1983:CFS,
author = "J. {\v{C}}{\'\i}{\v{z}}ek and E. R. Vrscay",
title = "Continued fractions for the {Stirling} expansion
revisited",
journal = j-IJQC,
volume = "24",
number = "5",
pages = "521--522",
month = nov,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240508",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1983:Mk,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "24",
number = "5",
pages = "fmi--fmii",
month = nov,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240501",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:43 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mezey:1983:MGI,
author = "Paul G. Mezey",
title = "A molecular geometry invariant property of energy
level set boundaries in $z$ space",
journal = j-IJQC,
volume = "24",
number = "6",
pages = "523--526",
month = dec,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240602",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Simas:1983:BSQ,
author = "Alfredo M. Simas and Ajit J. Thakkar and Vedene H.
{Smith, Jr.}",
title = "Basis set quality. {II}. {Information} theoretic
appraisal of various $s$-orbitals",
journal = j-IJQC,
volume = "24",
number = "6",
pages = "527--550",
month = dec,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240603",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Schmidt:1983:CPP,
author = "H. M. Schmidt",
title = "On the concept of {``Partitions''} in the perturbation
theory of $n$-electron systems",
journal = j-IJQC,
volume = "24",
number = "6",
pages = "551--570",
month = dec,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240604",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{El-Basil:1983:OKS,
author = "Sherif El-Basil and A. N. Osman",
title = "Ordering of {Kekul{\'e}} structures using nonadjacent
numbers",
journal = j-IJQC,
volume = "24",
number = "6",
pages = "571--592",
month = dec,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240605",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Brown:1983:SCS,
author = "Richard E. Brown and Johannes Pieter Colpa",
title = "{SCF} and {CI Studies} of {Hund}'s rules for the
effects of electronic correlation and delocalization.
{I}",
journal = j-IJQC,
volume = "24",
number = "6",
pages = "593--602",
month = dec,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240606",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Takahashi:1983:PBT,
author = "Mitsuo Takahashi and Hideo Fukutome",
title = "Projected {BCS Tamm-Dancoff} method for molecular
electronic structures",
journal = j-IJQC,
volume = "24",
number = "6",
pages = "603--621",
month = dec,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240607",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Iwai:1983:ECE,
author = "Masahiro Iwai and A. Saika",
title = "Electron correlation effects on magnetic properties of
{BH}",
journal = j-IJQC,
volume = "24",
number = "6",
pages = "623--626",
month = dec,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240608",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Romelt:1983:HRB,
author = "Joachim R{\"o}melt",
title = "A {Hermitean} reformulation of the {Born--Oppenheimer}
nonadiabatic coupling terms for diatomic molecules",
journal = j-IJQC,
volume = "24",
number = "6",
pages = "627--631",
month = dec,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240609",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ishida:1983:CSI,
author = "Kazuhiro Ishida",
title = "Calculation in $k$ space of integrals arising in the
theory of {van der Waals} forces. {II}. {Formulas} for
arbitrary atoms",
journal = j-IJQC,
volume = "24",
number = "6",
pages = "633--649",
month = dec,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240610",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zeiss:1983:SDF,
author = "G. D. Zeiss and M. A. Whitehead",
title = "Shaping the density to fit one-electron properties:
{Constrained RHF} calculations on {N$_2$}, {FH}, {CO},
and {LiH}",
journal = j-IJQC,
volume = "24",
number = "6",
pages = "651--685",
month = dec,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240611",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bridet:1983:ICH,
author = "Jacques Bridet and S{\'a}ndor Flisz{\'a}r and Simone
Odiot and Robert Pick",
title = "Ab initio calculation of the heptamer {(NH$_3$)$_7$}
as a reasonable starting point for a description of the
ammonia crystal",
journal = j-IJQC,
volume = "24",
number = "6",
pages = "687--695",
month = dec,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240612",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Prat:1983:PIA,
author = "R. F. Prat",
title = "A possible interpretation of atomic valency as a
spontaneously broken symmetry response",
journal = j-IJQC,
volume = "24",
number = "6",
pages = "697--706",
month = dec,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240613",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Takahashi:1983:PTE,
author = "M. Takahashi and J. Paldus and J.
{\v{C}}{\'\i}{\v{z}}ek",
title = "Perturbation theory and electron correlation in
extended systems: {Cyclic} polyene model",
journal = j-IJQC,
volume = "24",
number = "6",
pages = "707--727",
month = dec,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240614",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1983:SCE,
author = "Per-Olov L{\"o}wdin",
title = "On the {Sanibel} coefficients in the expansion of
spin-projected {Slater} determinants",
journal = j-IJQC,
volume = "24",
number = "6",
pages = "729--745",
month = dec,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240615",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dick:1983:ABP,
author = "Bernhard Dick and Hans-Joachim Freund",
title = "Analysis of bonding properties in molecular ground and
excited states by a {Cohen}-type bond order",
journal = j-IJQC,
volume = "24",
number = "6",
pages = "747--765",
month = dec,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240616",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gaspar:1983:IMF,
author = "R. {G{\'a}sp{\'a}r, Jr.} and R. G{\'a}sp{\'a}ar",
title = "Ab initio molecular fragment calculations with
pseudopotentials: {Model} peptide studies",
journal = j-IJQC,
volume = "24",
number = "6",
pages = "767--771",
month = dec,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240617",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1983:Ml,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "24",
number = "6",
pages = "fmi--fmii",
month = dec,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240601",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rao:1983:CMEa,
author = "Gita Subba Rao and R. S. Tyagi and R. K. Mishra",
title = "Calculation of the minimum energy conformations of
{Di-}, {Tri-}, and tetrapeptides of glycine using a
global optimization technique",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "1--4",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240704",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Rao:1983:CMEb,
author = "Gita Subba Rao and Sudha Mahajan and R. K. Mishra",
title = "Calculation of the minimum energy conformation of
biomolecules using a global optimization technique.
{IV}. {Preferred} conformations and receptor maps of
histamine",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "5--9",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240705",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Vercauteren:1983:PSB,
author = "D. P. Vercauteren and E. Clementi",
title = "Photoionization spectra of {B-DNA} and {Z-DNA}",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "11--30",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240706",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Clementi:1983:MCS,
author = "E. Clementi and G. Corongiu",
title = "{Monte Carlo} study of liquid water with two- and
three-body ab initio potentials",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "31--41",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240707",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Cheney:1983:ECF,
author = "B. Vernon Cheney and Dominic A. Zichi and Andrea B.
Miller",
title = "Electronic and conformational features of a series of
{N}-protonated benzomorphan molecules: {N}-substituent
effects on relative binding at the agonist and
antagonist states of the opioid receptor",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "43--59",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240708",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Pack:1983:DDE,
author = "George R. Pack",
title = "Determination of the distribution and electric fields
of monovalent and divalent ions about {DNA}",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "61--71",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240709",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Ladik:1983:SNR,
author = "J. Ladik and P. Otto and W. F{\"o}rner",
title = "Some new results in the quantum mechanical
investigation of {DNA}",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "73--80",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240710",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Urry:1983:LEM,
author = "Dan W. Urry and Cherayathumadom M. Venkatachalam",
title = "A librational entropy mechanism for elastomers with
repeating peptide sequences in helical array",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "81--93",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240711",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Seybold:1983:TICa,
author = "Paul G. Seybold",
title = "Topological influences on the carcinogenicity of
aromatic hydrocarbons. {I}. {The} bay region geometry",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "95--101",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240712",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Seybold:1983:TICb,
author = "Paul G. Seybold",
title = "Topological influences on the carcinogenicity of
aromatic hydrocarbons. {II}. {Substituent} effects",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "103--108",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240713",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Vasilescu:1983:CAA,
author = "D. Vasilescu and D. Cabrol and H. Broch",
title = "Conformons in amino acid sequences typical of
collagen: {A} quantum mechanical study",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "109--122",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240714",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Gascoyne:1983:SET,
author = "Peter R. C. Gascoyne and Martyn C. R. Symons and Jane
A. Mclaughlin",
title = "Spontaneous electron transfer in the reaction between
methylgiyoxal and methylamine",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "123--132",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240715",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Bone:1983:CMS,
author = "Stephen Bone and Ronald Pethig",
title = "Cyclodextrins as model systems for the study of proton
transport",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "133--141",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240716",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Cross:1983:MSI,
author = "Thomas E. Cross and Ronald Pethig",
title = "Microwave studies of the interaction of {DNA} and
water in the temperature range {90--300K}",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "143--152",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240717",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Mezey:1983:ACA,
author = "Paul G. Mezey",
title = "An approach to conformation analysis on
multidimensional potential surfaces",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "153--160",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240718",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Pohl:1983:CSR,
author = "Herbert A. Pohl",
title = "Cellular spin resonance: {A} new method for
determining the dielectric properties of living cells",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "161--174",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240719",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Sapse:1983:TCP,
author = "Anne-Marie Sapse and Grace Snyder",
title = "Theoretical calculations of properties of some
nitrosoureas",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "175--179",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240720",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Levitt:1983:NMP,
author = "Michael Levitt and Christian Sander and Peter S.
Stern",
title = "The normal modes of a protein: {Native} bovine
pancreatic trypsin inhibitor",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "181--199",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240721",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Loew:1983:MSA,
author = "Gilda H. Loew and Michael T. Poulsen and Dale Spangler
and Elizabeth Kirkjian",
title = "Mechanistic structure--activity studies of
carcinogenic dialkylnitrosamines",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "201--213",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240722",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Gresh:1983:TSM,
author = "Nohad Gresh and Alberte Pullman",
title = "Theoretical study of the $2 \colon 1$ {Mg$^{2+}$} and
{Ca$^{2+}$} complexes of ionophore {A23187}",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "215--229",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240723",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Scanlan:1983:PBL,
author = "M. J. Scanlan and I. H. Hillier and E. E. Hodgkin and
R. P. Sidebotham and C. M. Warwick and R. H. Davies",
title = "Prediction of bond length variation in classical
$\beta$-lactam structures and enzymatic ring
instability",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "231--249",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240724",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Phadke:1983:EDD,
author = "Ratna S. Phadke and H. M. Sonawat and Girjesh Govil",
title = "Electron delocalization during the oxidation-reduction
cycle of {FAD} and {NAD}: {A} quantum chemical approach
to the design of coenzyme-immobilized bioanode for
biochemical fuel cells",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "251--262",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240725",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Cook:1983:ERA,
author = "Charles M. Cook and Richard H. Lee and Leland C.
Allen",
title = "Electronic roles of active site residues in the
catalysis and inhibition of carbonic anhydrase",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "263--276",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240726",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Corongiu:1983:HAD,
author = "Giorgina Corongiu and Sandro L. Fornili and Enrico
Clementi",
title = "Hydration of agarose double helix: {A} {Monte Carlo}
simulation",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "277--291",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240727",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Mazurek:1983:TSA,
author = "Aleksander P. Mazurek and Sid Topiol and Harel
Weinstein and Roman Osman",
title = "Theoretical studies on the activation mechanism of the
histamine {H$_2$}-receptor: {The} guanidine
substitution and its role in the partial agonism of
{N}(alpha)-guanylhistamine",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "293--300",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240728",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Sundaralingam:1983:WDP,
author = "M. Sundaralingam and S. T. Rao",
title = "Why is {DNA} polymorphic while {RNA} is not?",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "301--308",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240729",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Weinstein:1983:MDR,
author = "Harel Weinstein and Saul Maayani and Barak
Pazhenchevsky and Carol Venanzi and Roman Osman",
title = "Molecular determinants for recognition of
phencyclidine derivatives at muscarinic cholinergic
receptors",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "309--320",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240730",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Sokalski:1983:CAF,
author = "W. A. Sokalski and A. Sawaryn and H. Chojnacki",
title = "Catalytic activity of the first solvation shell in the
{CO$_2$} hydration reaction",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "321--329",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240731",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Georgian:1983:HFC,
author = "T. Georgian and G. L. Findley",
title = "{Hamiltonian} formulations of chemical kinetics",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "331--338",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240732",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kluge:1983:PSH,
author = "G. Kluge and G. Kania and F. Achenbach and E. Lippmann
and I. Novak and L. Klasinc",
title = "Photoelectron spectroscopy of heterocycles:
{Ortho}-disubstituted quinoxalines",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "339--347",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240733",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Prakash:1983:SAI,
author = "A. S. Prakash and I. S. Zegar and M. Shahbaz and P. R.
Lebreton",
title = "Stereoelectronic aspects of the intercalative binding
of benz[a]anthracene metabolite models to {DNA}",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "349--356",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240734",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Thomson:1983:TIS,
author = "Colin Thomson and Richard Brandt",
title = "Theoretical investigations of the structure of
potential inhibitors of the enzyme glyoxalase-{I}",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "357--373",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240735",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kaufman:1983:PTP,
author = "Joyce J. Kaufman and Walter S. Koski and P. C.
Hariharan and Jack Crawford and David M. Garmer and
Louis Chan-Lizardo",
title = "Prediction of toxicology and pharmacology based on
model toxicophores and pharmacophores using the new
{TOX-MATCH--PHARM-MATCH} program",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "375--415",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240736",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lowdin:1983:I,
author = "Per-Olov L{\"o}wdin and Michael Zerner",
title = "Introduction",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "vii--vii",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240702",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Anonymous:1983:Mm,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "i--i",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240701",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Wijkman:1983:OR,
author = "Gunnar Wijkman",
title = "Opening remarks",
journal = j-IJQC,
volume = "24",
number = "S10",
pages = "IX--X",
day = "14--16",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240703",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Micha:1983:IP,
author = "David A. Micha and Per-Olov L{\"o}wdin",
title = "Introduction, {Part I}",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "1--1",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240802",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Wijkman:1983:OA,
author = "Gunnar Wijkman",
title = "Opening address",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "3--4",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240803",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Bates:1983:SR,
author = "David R. Bates",
title = "Scientific reminiscences",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "5--32",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240804",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Mccarroll:1983:MME,
author = "R. Mccarroll",
title = "The molecular model of electronic transitions in
atom--atom collisions: {Successes} and shortcomings",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "33--35",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240805",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Delos:1983:QTS,
author = "J. B. Delos",
title = "Quantum theory of slow atomic collisions",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "37--48",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240806",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Olson:1983:ICC,
author = "R. E. Olson",
title = "Ionic--covalent collision interactions",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "49--64",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240807",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Hickman:1983:CPI,
author = "Albert P. Hickman",
title = "Collisional phenomena involving {Rydberg} atoms",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "65--76",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240808",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Truhlar:1983:RPA,
author = "Donald G. Truhlar",
title = "Recent progress in atomic and molecular collisions and
the interface with electronic structure theory",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "77--87",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240809",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{McKoy:1983:DMP,
author = "Vincent McKoy and Diane Lynch and Robert R.
Lucchese",
title = "Dynamics of molecular photoionization processes",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "89--100",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240810",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Bloor:1983:OSC,
author = "J. E. Bloor",
title = "Overlapping spheres continuum multiple-scattering
{X$\alpha$} calculations of elastic cross sections in
electron-molecule scattering",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "101--112",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240811",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Brandas:1983:RDC,
author = "Erkki Br{\"a}ndas and Piotr Froelich",
title = "Rigorous determination of cross sections via complex
transformations",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "113--116",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240812",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Rittby:1983:CRT,
author = "Magnus Rittby and Nils Elander and Erkki
Br{\"a}ndas",
title = "Complex rotated {Titchmarsh--Weyl} theory: {A} review
and some recent results",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "117--126",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240813",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Green:1983:RHO,
author = "A. E. S. Green and P. F. Schippnick and D. E. Rio",
title = "Reactive hydrogen--oxygen collisions in combustion and
radiolysis",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "127--136",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240814",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Mezey:1983:DMM,
author = "Paul G. Mezey",
title = "The differentiable manifold model of quantum-chemical
reaction networks",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "137--152",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240815",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Micha:1983:VDS,
author = "David A. Micha",
title = "Variational determination of self-consistent
interactions in atomic collisions",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "153--161",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240816",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Staszewska:1983:OME,
author = "Grazyna Staszewska and David W. Schwenke and Donald G.
Truhlar",
title = "Optical model for electron scattering by {Ar} at
{30--3000eV}: {Test} of the adiabatic model for charge
polarization and a quasi-free scattering model for
inelastic effects",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "163--176",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240817",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Yamashita:1983:IRC,
author = "Koichi Yamashita and Tokio Yamabe",
title = "The intrinsic reaction coordinate approach in
polyatomic reaction dynamics",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "177--189",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240818",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Norcross:1983:REM,
author = "David W. Norcross",
title = "Review of electron-molecule scattering",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "191--191",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240819",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Swaminathan:1983:MPV,
author = "P. K. Swaminathan and David A. Micha",
title = "Molecular photodissociation by visible and ultraviolet
radiation: {Time} evolution and state-to-state cross
sections",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "192--192",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240820",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Davis:1983:NMC,
author = "Larry P. Davis and Almon G. Turner",
title = "1-nitropropene: {A} model compound for the theoretical
study of {TNT} decomposition",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "193--193",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240821",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Vilallonga:1983:AET,
author = "Eduardo Vilallonga and David A. Micha",
title = "Asymptotic expansions of time-correlation functions
for energy transfer in molecular collisions",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "194--194",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240822",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Weatherford:1983:VRF,
author = "Charles A. Weatherford",
title = "Vibrational resonances in the frame-transformation
theory of electron-{H$_2$} scattering",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "195--195",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240823",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Kaufman:1983:IPE,
author = "Joyce J. Kaufman",
title = "Ab-initio potential energy functions for scattering
from energy-partitioned ab-initio {SCF} intermolecular
energies plus dispersion",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "197--198",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240824",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Ohrn:1983:IPI,
author = "Yngve {\"O}hrn and Per-Olov L{\"o}wdin",
title = "Introduction, {Part II}",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "199--199",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240825",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Avery:1983:MEM,
author = "John Avery and Zhen-Yi Wen",
title = "Matrix elements of a many-particle {Hamiltonian}
evaluated using hyperspherical coordinates",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "201--206",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240826",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Coffman:1983:GAT,
author = "R. E. Coffman",
title = "A general approximation to the two-center exchange
integral between complex {STOS}",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "207--216",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240827",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Davis:1983:SWF,
author = "C. L. Davis and E. N. Maslen",
title = "Series wave functions for the helium atom",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "217--225",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240828",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Allan:1983:CPS,
author = "N. L. Allan and N. H. March",
title = "{Compton} profile, $(e, 2 e)$ studies, and ``atoms in
molecules''",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "227--240",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240829",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Nakatsuji:1983:CEW,
author = "Hiroshi Nakatsuji",
title = "Cluster expansion of the wave function. {Ionization}
and excitation spectra of {NO} radical studied by the
{SAC} and {SAC--CI} theory",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "241--255",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240830",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Pulay:1983:VFG,
author = "Peter Pulay",
title = "Variational formulation and gradient evaluation for
coupled electron pair approximations: {A} model study",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "257--263",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240831",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Diercksen:1983:ECP,
author = "Geerd H. F. Diercksen and Bj{\"o}rn O. Roos and
Andrzej J. Sadlej",
title = "Electron correlation and properties of many-electron
systems",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "265--288",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240832",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Jasien:1983:SDS,
author = "Paul G. Jasien and Clifford E. Dykstra",
title = "The significance of double substitutions in
well-correlated electronic wave functions",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "289--296",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240833",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Adams:1983:SQE,
author = "B. G. Adams and K. Jankowski",
title = "A study of quasidegeneracy effects in the
be-isoelectronic series",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "297--306",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240834",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Pople:1983:MPS,
author = "John A. Pople and Michael J. Frisch and Brian T. Luke
and J. Stephen Binkley",
title = "A {M{\o}ller--Plesset} study of the energies of
{AH$_n$} molecules {(A $=$ Li to F)}",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "307--320",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240835",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Brandas:1983:SEC,
author = "E. J. Br{\"a}ndas and G. L. Bendazzoli and F.
Ortolani",
title = "Size extensivity corrections to a multireference {CI}
by means of a random-phase average procedure",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "321--329",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240836",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Binkley:1983:IDB,
author = "J. S. Binkley and M. J. Frisch",
title = "ab initio determination of bond dissociation energies:
{The} first-row diatomics {CO}, {N$_2$}, {NO}, {O$_2$},
and {F$_2$}",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "331--337",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240837",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Smentek-Mielczarek:1983:EEC,
author = "L. Smentek-Mielczarek and K. Jankowski",
title = "Effect of electron correlation on the forced
electric-dipole transition probabilities in {f$^N$}
systems. {III}. {Some} aspects of the mechanism of
hypersensitive transitions",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "339--346",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240838",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Lee:1983:MMB,
author = "Yoon S. Lee and Rodney J. Bartlett",
title = "A multireference many-body perturbation theory study
of {Be $+$ H$_2$ $\rightarrow$ BeH$_2$}",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "347--356",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240839",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{England:1983:OFTb,
author = "Walter B. England",
title = "Ordinary field-theoretic methods for self-consistent
wave functions which describe bond formation and
dissociation. {III}. {The} commutative coupling
approximation",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "357--365",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240840",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Trsic:1983:UHF,
author = "M. Trsic and W. G. Laidlaw",
title = "The use of the {Hartree--Fock--Slater} eigenvalues to
estimate excitation and ionization energies in
sulfur--nitrogen compounds",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "367--374",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240841",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Sokalski:1983:CSS,
author = "W. Andrzej Sokalski and Szczepan Roszak and Alfred H.
Lowrey and P. C. Hariharan and Walter S. Koski and
Joyce J. Kaufman and Richard S. Miller",
title = "Crystal structure studies using ab-initio potential
functions from partitioned ab-initio {MODPOT\slash
VRDDO SCF} energy calculations. {I}. {N$_2$} and
{CO$_2$} test cases. {II}. {Nitromethane},
{CH$_3$NO$_2$}",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "375--391",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240842",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Palma:1983:FCF,
author = "A. Palma and J. Morales",
title = "{Franck--Condon} factors and ladder operators. {I}.
Harmonic oscillator",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "393--400",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240843",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Luken:1983:ASP,
author = "William L. Luken and Joseph M. Leonard and John C.
Culberson",
title = "Application of the saddle-point variational method to
self-consistent-field wave functions",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "401--405",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240844",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Alexander:1983:ISS,
author = "S. A. Alexander and Carol Mcdonald and F. A. Matsen",
title = "Ab initio surfaces of singlet and triplet methylene",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "407--414",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240845",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Kurtz:1983:PPB,
author = "Henry A. Kurtz and Brian Weiner and Hans J{\o}rgen Aa.
Jensen",
title = "The polarization propagator based on an {AGP} state:
{Theory} and application to the helium atom",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "415--423",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240846",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Hall:1983:RLP,
author = "G. G. Hall",
title = "Reactions in the liquid phase",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "425--429",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240847",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kestner:1983:PEC,
author = "N. R. Kestner and M. D. Newton and T. L. Mathers",
title = "Potential energy calculations for various water dimer
configurations",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "431--439",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240848",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Barysz:1983:SCS,
author = "M. Barysz and N. Trinajsti{\'c} and J. V. Knop",
title = "On the similarity of chemical structures",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "441--451",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240849",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Mezey:1983:IHR,
author = "Paul G. Mezey",
title = "Inequalities and homotopy relations in reaction
topology",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "453--460",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240850",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Deumens:1983:HAS,
author = "E. Deumens and L. Lathouwers",
title = "Highly accurate solutions of generator coordinate
nuclear motion equations",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "461--469",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240851",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Thulstrup:1983:OSP,
author = "Erik W. Thulstrup and Josef Michl",
title = "Optical spectroscopy on partially oriented samples",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "471--482",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240852",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Ferraz:1983:VCM,
author = "Armando C. Ferraz and Jos{\'e} R. Leite",
title = "Variational cellular model of the energy bands of
silicon",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "483--490",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240853",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Etters:1983:GSS,
author = "R. D. Etters and A. A. Helmy and K. Kobashi",
title = "Ground-state structural and magnetic properties of
solid $\alpha$ and {$\beta$-O$_2$}",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "491--499",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240854",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Harriman:1983:DMD,
author = "John E. Harriman",
title = "Density matrix and density functional theory with a
{Gaussian} wavepacket basis",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "501--515",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240855",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Clinton:1983:DMM,
author = "W. L. Clinton and C. A. Frishberg and M. J. Goldberg
and L. J. Massa and P. A. Oldfield",
title = "Density matrix model for coherent {X}-ray diffraction:
{Study} of experimental factors related to
idempotency",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "517--525",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240856",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Bagayoko:1983:CGB,
author = "D. Bagayoko",
title = "Contraction of {Gaussian} basis sets and the total
energy of fcc copper",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "527--535",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240857",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Csavinszky:1983:VCP,
author = "P. Csavinszky",
title = "Variational calculation of the potential resulting
from a localized arbitrary spherically symmetric charge
distribution",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "537--540",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240858",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Moriarty:1983:GPT,
author = "John A. Moriarty",
title = "Generalized pseudopotential theory of $d$-band
metals",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "541--554",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240859",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Klein:1983:VLS,
author = "D. J. Klein and W. A. Seitz and M. A. Garcia-Bach and
J. M. Picone and D. C. Foyt",
title = "Variational localized-site cluster expansions. {XI}.
{Coherent} state derivation of effective {Heisenberg}
{Hamiltonians}",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "555--571",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240860",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Flynn:1983:RRE,
author = "C. P. Flynn and A. B. Kunz",
title = "Recent results for excitonic processes in the spectra
of metals and alloys",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "573--582",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240861",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Cohen:1983:FYP,
author = "Marvin L. Cohen",
title = "Fifty years of pseudopotentials",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "583--595",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240862",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Duke:1983:ESP,
author = "C. B. Duke and W. K. Ford",
title = "The electronic structure of polymers: {Relation} to
molecular architecture",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "597--608",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240863",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Mintmire:1983:TPC,
author = "J. W. Mintmire and C. T. White",
title = "Theoretical photoelectron cross sections for chain
polymers",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "609--612",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240864",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Shepard:1983:QCC,
author = "Ron Shepard and Raymond A. Bair and Robert A. Eades
and Albert F. Wagner and Michael J. Davis and Lawrence
B. Harding and Thom H. {Dunning, Jr.}",
title = "Quantum chemical calculations using the {Floating
Point Systems, Inc. Model 164} attached processor",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "613--622",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240865",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Kunz:1983:STS,
author = "A. Barry Kunz",
title = "A series of tests of small- and medium-scale computers
commonly used for computations by solid-state theorists
and quantum chemists",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "623--627",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240866",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Knop:1983:CT,
author = "J. V. Knop and K. Szymanski and N. Trinajsti{\'c}",
title = "Computers of tomorrow",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "629--642",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240867",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Chabalowski:1983:IMC,
author = "Cary Chabalowski and P. C. Hariharan and Joyce J.
Kaufman and Robert Buenker",
title = "Ab-initio multireference {CI} calculations on
{CH$_3$NO$_2$} confirm earlier preliminary {GVB} and
{MCSCF\slash CI} results that {HNO$_2$} and
{CH$_3$NO$_2$} have multiconfiguration ground
electronic states even at equilibrium geometry as well
as multiconfiguration excited states",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "643--644",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240868",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Golab:1983:PCM,
author = "Joseph T. Golab and Danny L. Yeager and Poul
J{\o}rgensen",
title = "Proper characterization of {MCSCF} stationary points",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "645--645",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240869",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Emin:1983:SPF,
author = "David Emin",
title = "Small-polaron formation and motion",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "647--647",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240870",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Anonymous:1983:Mn,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "24",
number = "S17",
pages = "fmi--fmi",
day = "3--12",
month = mar,
year = "1983",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560240801",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:29:42 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Supplement: Proceedings of the International Symposium
on Atomic, Molecular and Solid-state Theory, Collision
Phenomena, and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Pyykko:1984:I,
author = "Pekka Pyykk{\"o}",
title = "Introduction",
journal = j-IJQC,
volume = "25",
number = "1",
pages = "1--2",
month = jan,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250102",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Apr 2005",
}
@Article{Sucher:1984:FRT,
author = "J. Sucher",
title = "Foundations of the relativistic theory of
many-electron bound states",
journal = j-IJQC,
volume = "25",
number = "1",
pages = "3--21",
month = jan,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250103",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Apr 2005",
}
@Article{Grant:1984:RAS,
author = "I. P. Grant",
title = "Relativistic atomic structure theory: {Some} recent
work",
journal = j-IJQC,
volume = "25",
number = "1",
pages = "23--46",
month = jan,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250104",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Apr 2005",
}
@Article{Rudzikas:1984:RSA,
author = "Z. B. Rudzikas",
title = "Relativistic studies of atoms and ions with complex
configurations",
journal = j-IJQC,
volume = "25",
number = "1",
pages = "47--55",
month = jan,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250105",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Apr 2005",
}
@Article{Simonis:1984:IBA,
author = "V. {\v{C}}. {\v{S}}imonis and J. M. Kaniauskas and Z.
B. Rudzikas",
title = "Isospin basis for atoms in relativistic
approximation",
journal = j-IJQC,
volume = "25",
number = "1",
pages = "57--62",
month = jan,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250106",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Apr 2005",
}
@Article{Safronova:1984:RCA,
author = "U. I. Safronova and T. A. Tsirekidze",
title = "Relativistic calculation of autoionization widths of
{$1s 2s 2p_j J$}, {$1s 2s^2${}$^2S_{1/2}$}, and {$1s
2p_J^2 p_j^\prime J$} levels",
journal = j-IJQC,
volume = "25",
number = "1",
pages = "63--68",
month = jan,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250107",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Apr 2005",
}
@Article{Pokleba:1984:PTC,
author = "A. K. Pokleba and U. I. Safronova",
title = "{$1/Z$} perturbation theory for calculation of line
strengths in the neon isoelectronic sequence",
journal = j-IJQC,
volume = "25",
number = "1",
pages = "69--75",
month = jan,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250108",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Apr 2005",
}
@Article{Migdalek:1984:CPR,
author = "J. Migdalek and W. E. Baylis",
title = "Core polarization and relativistic effects competition
in the first ionization potentials for some systems in
the {Cu}, {Ag}, and {Au} isoelectronic sequences",
journal = j-IJQC,
volume = "25",
number = "1",
pages = "77--77",
month = jan,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250109",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Apr 2005",
}
@Article{Avery:1984:UMR,
author = "John Avery",
title = "Use of the {$S$}-matrix in the relativistic treatment
of resonance energy transfer",
journal = j-IJQC,
volume = "25",
number = "1",
pages = "79--96",
month = jan,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250110",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Apr 2005",
}
@Article{Fricke:1984:CS,
author = "B. Fricke and A. Ros{\'e}n",
title = "Collision systems",
journal = j-IJQC,
volume = "25",
number = "1",
pages = "97--105",
month = jan,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250111",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Apr 2005",
}
@Article{Kutzelnigg:1984:BSE,
author = "Werner Kutzelnigg",
title = "Basis set expansion of the {Dirac} operator without
variational collapse",
journal = j-IJQC,
volume = "25",
number = "1",
pages = "107--129",
month = jan,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250112",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Apr 2005",
}
@Article{Pitzer:1984:RCD,
author = "Kenneth S. Pitzer",
title = "Relativistic calculations of dissociation energies and
related properties",
journal = j-IJQC,
volume = "25",
number = "1",
pages = "131--148",
month = jan,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250113",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Apr 2005",
}
@Article{Kahn:1984:ESM,
author = "Luis R. Kahn",
title = "Electronic structure of molecules using one-component
wave functions and relativistic effective core
potentials",
journal = j-IJQC,
volume = "25",
number = "1",
pages = "149--183",
month = jan,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250114",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Apr 2005",
}
@Article{Ellis:1984:SCD,
author = "D. E. Ellis and G. L. Goodman",
title = "Self-consistent {Dirac--Slater} calculations for
molecules and embedded clusters",
journal = j-IJQC,
volume = "25",
number = "1",
pages = "185--200",
month = jan,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250115",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Apr 2005",
}
@Article{Larsson:1984:ESP,
author = "Sven Larsson and Lars-Fride Olsson and Arne
Ros{\'e}n",
title = "Electronic structure of the {PdCl$_4^{2-}$} and
{PtCl$_4^{2-}$} ions",
journal = j-IJQC,
volume = "25",
number = "1",
pages = "201--209",
month = jan,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250116",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Apr 2005",
}
@Article{Lohr:1984:EEE,
author = "Lawrence L. {Lohr, Jr.}",
title = "Electronegativity equalization and the electronic
structure of polyhedral clusters of main-group atoms",
journal = j-IJQC,
volume = "25",
number = "1",
pages = "211--221",
month = jan,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250117",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Apr 2005",
}
@Article{Viste:1984:SOE,
author = "A. Viste and P. Pyykk{\"o}",
title = "Spin-orbit excitation in the system {I} + {I$_2$}:
{Relativistically} parameterized {extended-H{\"u}ckel}
calculations",
journal = j-IJQC,
volume = "25",
number = "1",
pages = "223--231",
month = jan,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250118",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Apr 2005",
}
@Article{Christensen:1984:RBS,
author = "N. Egede Christensen",
title = "Relativistic band structure calculations",
journal = j-IJQC,
volume = "25",
number = "1",
pages = "233--261",
month = jan,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250119",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Apr 2005",
}
@Article{VonBoehm:1984:RCV,
author = "J. {Von Boehm} and H. M. Isom{\"a}ki",
title = "Relativistic corrections to the valence and conduction
band edges of anisotropic semiconductors",
journal = j-IJQC,
volume = "25",
number = "1",
pages = "263--263",
month = jan,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250120",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Apr 2005",
}
@Article{Anonymous:1984:AIA,
author = "Anonymous",
title = "Announcement. {International} academy of quantum
molecular sciences",
journal = j-IJQC,
volume = "25",
number = "1",
pages = "273--273",
month = jan,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250121",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Apr 2005",
}
@Article{Anonymous:1984:Ma,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "25",
number = "1",
pages = "fmi--fmi",
month = jan,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250101",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Apr 2005",
}
@Article{Kryachko:1984:CDP,
author = "Eugene S. Kryachko",
title = "On construction of diatomic potential energy
functions",
journal = j-IJQC,
volume = "25",
number = "2",
pages = "277--291",
month = feb,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250202",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Karafiloglou:1984:AMS,
author = "Padeleimon Karafiloglou",
title = "Analytical {MO} study of the singlet--triplet coupling
in xylylenes",
journal = j-IJQC,
volume = "25",
number = "2",
pages = "293--308",
month = feb,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250203",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Flurry:1984:GSG,
author = "R. L. {Flurry, Jr.}",
title = "Groups of simple graphs",
journal = j-IJQC,
volume = "25",
number = "2",
pages = "309--320",
month = feb,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250204",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kari:1984:PCA,
author = "Roy Kari",
title = "Parametrization and comparative analysis of the {BFGS}
optimization algorithm for the determination of optimum
linear coefficients",
journal = j-IJQC,
volume = "25",
number = "2",
pages = "321--329",
month = feb,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250205",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sykja:1984:GEM,
author = "Besnik Sykja and Jean-Louis Calais",
title = "Gap equations for molecular systems",
journal = j-IJQC,
volume = "25",
number = "2",
pages = "331--346",
month = feb,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250206",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Koga:1984:MDI,
author = "Toshikatsu Koga",
title = "Momentum density interpretation of the {H(1s)--H$^+$}
long-range force",
journal = j-IJQC,
volume = "25",
number = "2",
pages = "347--354",
month = feb,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250207",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Leonard:1984:CLM,
author = "Joseph M. Leonard and William L. Luken",
title = "Calculation of localized molecular orbitals",
journal = j-IJQC,
volume = "25",
number = "2",
pages = "355--365",
month = feb,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250208",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{deBruijn:1984:AIS,
author = "Steef de Bruijn",
title = "Analysis of the inadequacies of some semi-empirical
{MO} methods as theories of structure and reactivity",
journal = j-IJQC,
volume = "25",
number = "2",
pages = "367--390",
month = feb,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250209",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Schuch:1984:NST,
author = "D. Schuch and K.-M. Chung and H. Hartmann",
title = "Nonlinear {Schr{\"o}dinger-type} field equation for
the description of dissipative systems. {II}.
{Frictionally} damped motion in a magnetic field",
journal = j-IJQC,
volume = "25",
number = "2",
pages = "391--410",
month = feb,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250210",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Poirier:1984:ICS,
author = "Raymond A. Poirier and Raymond Daudel and Roy E. Kari
and Imre G. Csizmadia",
title = "Ab initio calculations on sulfur-containing compounds.
{II}. {One}-electron properties of {H$_2$S}",
journal = j-IJQC,
volume = "25",
number = "2",
pages = "411--421",
month = feb,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250211",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Paldus:1984:BLA,
author = "J. Paldus and M. Takahashi",
title = "Bond length alternation in cyclic polyenes. {IV}.
{Finite}-order perturbation theory approach",
journal = j-IJQC,
volume = "25",
number = "2",
pages = "423--443",
month = feb,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250212",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pudzianowski:1984:MSO,
author = "Andrew T. Pudzianowski and Gilda H. Loew",
title = "Mechanistic studies of oxene reactions with organic
substrates: {Reaction} paths on {MNDO} enthalpy
surfaces---models for cytochrome {P450} oxidations",
journal = j-IJQC,
volume = "25",
number = "2",
pages = "445--445",
month = feb,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250213",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Taylor:1984:RSP,
author = "William J. Taylor",
title = "Rayleigh--Schr{\"o}dinger perturbation theory for
many-electron systems with partitioning of
configurations by orders of excitation",
journal = j-IJQC,
volume = "25",
number = "2",
pages = "447--447",
month = feb,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250214",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1984:Mb,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "25",
number = "2",
pages = "fmi--fmii",
month = feb,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250201",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Piecuch:1984:STT,
author = "Piotr Piecuch",
title = "Spherical tensor theory of long-range interactions
between two molecules",
journal = j-IJQC,
volume = "25",
number = "3",
pages = "449--473",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250302",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lochmann:1984:CSI,
author = "R. Lochmann and Th. Weller",
title = "Calculation of systems involving strong delocalized
bonds within a modified {PCILO} framework. {I}.
{Valence}-bond {PCILO} method",
journal = j-IJQC,
volume = "25",
number = "3",
pages = "475--481",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250303",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pelissier:1984:FOE,
author = "Michel Pelissier and Ernest R. Davidson",
title = "Frozen orbital effects in the computation of
excitation energies of the iron atom",
journal = j-IJQC,
volume = "25",
number = "3",
pages = "483--491",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250304",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Laurence:1984:SRP,
author = "Patricia R. Laurence and Peter Politzer",
title = "Some reactive properties of chlorooxirane, a likely
carcinogenic metabolite of vinyl chloride",
journal = j-IJQC,
volume = "25",
number = "3",
pages = "493--502",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250305",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jonsson:1984:QMS,
author = "B. J{\"o}nsson and S. Romano and G. Karlstr{\"o}m",
title = "Quantum-mechanical and statistical mechanical studies
of the torsional barrier of {H$_2$O$_2$} in aqueous
solution",
journal = j-IJQC,
volume = "25",
number = "3",
pages = "503--514",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250306",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Facelli:1984:TSM,
author = "J. C. Facelli and C. G. Giribet and R. H. Contreras",
title = "A theoretical study of medium effects on the
transmission mechanisms of the {Fermi} contact term of
spin--spin coupling constants in the acetamide
molecule",
journal = j-IJQC,
volume = "25",
number = "3",
pages = "515--525",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250307",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sarai:1984:TSI,
author = "Akinori Sarai and Minoru Saito",
title = "Theoretical studies on the interaction of proteins
with base pairs. {I}. {Ab} initio calculation for the
effect of {H}-bonding interaction of proteins on the
stability of adenine--uracil pair",
journal = j-IJQC,
volume = "25",
number = "3",
pages = "527--533",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250308",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pan:1984:TCV,
author = "Dai-Kai Pan and Bang-Rong Zhang",
title = "Theoretical calculation of vertical ionization
potentials of {B$_2$H$_6$} by means of {$\Delta E_{\rm
SCF}$} procedures",
journal = j-IJQC,
volume = "25",
number = "3",
pages = "535--542",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250309",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kalcher:1984:IPC,
author = "Josef Kalcher and Alexander Sax and Gottfried
Olbrich",
title = "Ab initio and pseudopotential calculations on the
singlet and triplet states of the disilyne isomers",
journal = j-IJQC,
volume = "25",
number = "3",
pages = "543--552",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250310",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gould:1984:UGAa,
author = "M. D. Gould and G. S. Chandler",
title = "Unitary group approach to the many-electron problem.
{I}. {Matrix} element evaluation and shift operators",
journal = j-IJQC,
volume = "25",
number = "3",
pages = "553--601",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250311",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gould:1984:UGAb,
author = "M. D. Gould and G. S. Chandler",
title = "Unitary group approach to the many-electron problem.
{II}. {Adjoint} tensor operators for {U} (n)",
journal = j-IJQC,
volume = "25",
number = "3",
pages = "603--633",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250312",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1984:Mc,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "25",
number = "3",
pages = "fmi--fmii",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250301",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kryachko:1984:FDD,
author = "Eugene S. Kryachko",
title = "Four-dimensional density and energy density
functional",
journal = j-IJQC,
volume = "25",
number = "4",
pages = "637--644",
month = apr,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250402",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Beznosjuk:1984:DFT,
author = "Serge A. Beznosjuk and Eugene S. Kryachko",
title = "Density functional theory: {Approximating}
quasiparticle density functional",
journal = j-IJQC,
volume = "25",
number = "4",
pages = "645--651",
month = apr,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250403",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sun:1984:LAU,
author = "Chia-Chung Sun and Xue-Qui Li and Au-Chin Tang",
title = "Lie algebra and unitarily invariant decomposition of
{Hermitian} operators",
journal = j-IJQC,
volume = "25",
number = "4",
pages = "653--666",
month = apr,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250404",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Balint:1984:PDR,
author = "Imre B{\'a}lint and Mikl{\'o}s I. B{\'a}n",
title = "A procedure for determining reaction paths and saddle
points",
journal = j-IJQC,
volume = "25",
number = "4",
pages = "667--675",
month = apr,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250405",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Requena:1984:VRL,
author = "A. Requena and J. Zu{\~n}iga and R. Pe{\~n}a",
title = "Vibrational--rotational levels of diatomic {RKR}
potentials",
journal = j-IJQC,
volume = "25",
number = "4",
pages = "677--686",
month = apr,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250406",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gustav:1984:VCE,
author = "Klaus Gustav and Roland Colditz",
title = "Vibronic coupling of electronic states. {IV}.
{Harmonic CBO} potentials with equal minima
positions---the influence of different vibronic
coupling strengths on the electronic absorption and
emission spectra containing a longest-wavelength
electronically forbidden transition",
journal = j-IJQC,
volume = "25",
number = "4",
pages = "687--697",
month = apr,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250407",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jin:1984:QCS,
author = "Suqian Jin and Ruozhuang Liu",
title = "Quantum-chemical study of electrophilic addition
reaction of iodine to ethylene",
journal = j-IJQC,
volume = "25",
number = "4",
pages = "699--705",
month = apr,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250408",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pauncz:1984:NDW,
author = "Ruben Pauncz",
title = "New derivation of the {Waller--Hartree--Fock} spatial
wave function",
journal = j-IJQC,
volume = "25",
number = "4",
pages = "707--713",
month = apr,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250409",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Riera:1984:CSC,
author = "Josep M. Riera and Josep Marin{\'e}",
title = "Chemical shifts calculation in a {CNDO} framework.
{I}. {Formulation} and analysis of the model",
journal = j-IJQC,
volume = "25",
number = "4",
pages = "715--721",
month = apr,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250410",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pelissier:1984:BAM,
author = "Michel Pelissier and Ernest R. Davidson",
title = "Bonding in alkali metal homonuclear diatomics",
journal = j-IJQC,
volume = "25",
number = "4",
pages = "723--731",
month = apr,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250411",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Klimo:1984:SPC,
author = "Villiam Klimo and Josef Ti{\v{n}}o",
title = "Study of potential curves by {UHF}-type methods. {VI}.
{Spin}-extended {Hartree--Fock} method",
journal = j-IJQC,
volume = "25",
number = "4",
pages = "733--742",
month = apr,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250412",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Saran:1984:MOS,
author = "Anil Saran and C. L. Chatterjee",
title = "Molecular orbital studies on the structure of
nucleoside analogs. {IV}. {Conformation} of
3-deazapurine nucleosides",
journal = j-IJQC,
volume = "25",
number = "4",
pages = "743--752",
month = apr,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250413",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1984:Md,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "25",
number = "4",
pages = "fmi--fmii",
month = apr,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250401",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:44 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fraczak:1984:SRA,
author = "Marek Fraczak",
title = "Statistical representation of atomic systems
structure. {I}. {Total} binding energy as a function of
the relative information content",
journal = j-IJQC,
volume = "25",
number = "5",
pages = "755--766",
month = may,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250502",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Panin:1984:MRC,
author = "A. I. Panin",
title = "Method of recurrent construction of {L{\"o}wdin}
spin-adapted wave functions. {IV}. {Matrix} element
evaluation problem",
journal = j-IJQC,
volume = "25",
number = "5",
pages = "767--793",
month = may,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250503",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dunne:1984:MTC,
author = "Lawrence J. Dunne and George M. Bell and Leon L.
Combs",
title = "Molecular theory of critical phenomena in aliphatic
carboxylic acid monolayers",
journal = j-IJQC,
volume = "25",
number = "5",
pages = "795--808",
month = may,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250504",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Das:1984:CPS,
author = "Kalyan Kumar Das and Debashis Mukherjee and Sankar
Prasad Bhattacharyya and Debendra Madhab Bhattacharyya
and Priyotosh Khan",
title = "Convergence problems in {SCF} calculations: {Further}
applications of a new technique based on the use of
inverse {Fock} operator",
journal = j-IJQC,
volume = "25",
number = "5",
pages = "809--816",
month = may,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250505",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bohm:1984:BSP,
author = "Michael C. B{\"o}hm",
title = "The band structure of {porphyrinatonickel(II)}. {A}
semiempirical crystal orbital study based on the
tight-binding formalism",
journal = j-IJQC,
volume = "25",
number = "5",
pages = "817--851",
month = may,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250506",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mezey:1984:GFQ,
author = "Paul G. Mezey",
title = "A general formulation of the ``quantum chemical le
{Chatelier} principle''",
journal = j-IJQC,
volume = "25",
number = "5",
pages = "853--861",
month = may,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250507",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Defranceschi:1984:NSH,
author = "M. Defranceschi and M. Suard and G. Berthier",
title = "Numerical solution of {Hartree--Fock} equations for a
polyatomic molecule: {Linear H$_3$} in momentum space",
journal = j-IJQC,
volume = "25",
number = "5",
pages = "863--867",
month = may,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250508",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bauer:1984:EEN,
author = "Joanne {Bauer, Sr.} and Peter Politzer",
title = "The effect of an epoxide--nucleophile reaction upon
hydrogen bonding involving the nucleophile",
journal = j-IJQC,
volume = "25",
number = "5",
pages = "869--879",
month = may,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250509",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hall:1984:FED,
author = "G. G. Hall and C. M. Smith",
title = "Fitting electron densities of molecules",
journal = j-IJQC,
volume = "25",
number = "5",
pages = "881--890",
month = may,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250510",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Shipsey:1984:AAE,
author = "Edward J. Shipsey",
title = "Asymptotic analysis of exchange interactions",
journal = j-IJQC,
volume = "25",
number = "5",
pages = "891--914",
month = may,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250511",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Silverman:1984:GHF,
author = "Jeremiah N. Silverman",
title = "Generalized {Hellmann--Feynman} and curvature theorems
in classical and quantum mechanics",
journal = j-IJQC,
volume = "25",
number = "5",
pages = "915--928",
month = may,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250512",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1984:Me,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "25",
number = "5",
pages = "fmi--fmii",
month = may,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250501",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lazzeretti:1984:SMF,
author = "P. Lazzeretti and E. Rossi and R. Zanasi",
title = "Singularities of magnetic-field induced electron
current density: a study of the ethylene molecule",
journal = j-IJQC,
volume = "25",
number = "6",
pages = "929--940",
month = jun,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250602",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Niukkanen:1984:FTAa,
author = "A. W. Niukkanen",
title = "{Fourier} transforms of atomic orbitals. {I}.
{Reduction} to four-dimensional harmonics and quadratic
transformations",
journal = j-IJQC,
volume = "25",
number = "6",
pages = "941--955",
month = jun,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250603",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Niukkanen:1984:FTAb,
author = "A. W. Niukkanen",
title = "{Fourier} transforms of atomic orbitals. {II}.
{Convolution} theorems",
journal = j-IJQC,
volume = "25",
number = "6",
pages = "957--964",
month = jun,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250604",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mukhopadhyay:1984:USG,
author = "Atri Mukhopadhyay",
title = "On the use of spin graphs for spin adapting many-body
perturbation theory",
journal = j-IJQC,
volume = "25",
number = "6",
pages = "965--1002",
month = jun,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250605",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ramasesha:1984:DVB,
author = "S. Ramasesha and Z. G. Soos",
title = "Diagrammatic valence-bond theory for finite model
{Hamiltonians}",
journal = j-IJQC,
volume = "25",
number = "6",
pages = "1003--1021",
month = jun,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250606",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fernandez:1984:CBS,
author = "Francisco M. Fern{\'a}ndez and Gustavo A. Arteca and
Eduardo A. Castro",
title = "Calculation of bound-state energies from a variational
functional method",
journal = j-IJQC,
volume = "25",
number = "6",
pages = "1023--1033",
month = jun,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250607",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Simas:1984:NSM,
author = "Alfredo M. Simas and Vedene H. {Smith, Jr.} and Per
Kaijser",
title = "The nodal structure of the momentum distributions of
molecules",
journal = j-IJQC,
volume = "25",
number = "6",
pages = "1035--1044",
month = jun,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250608",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sun:1984:UID,
author = "Chia-Chung Sun and Xue-Qui Li and Au-Chin Tang",
title = "On the unitarily invariant decomposition of
{Hermitian} operators",
journal = j-IJQC,
volume = "25",
number = "6",
pages = "1045--1054",
month = jun,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250609",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lochmann:1984:MPF,
author = "R. Lochmann and Th. Weller and H.-J. K{\"o}hler",
title = "A modified {PCILO} framework using the {CNDO \slash
Boyd--Whitehead} parametrization",
journal = j-IJQC,
volume = "25",
number = "6",
pages = "1055--1060",
month = jun,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250610",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lochmann:1984:CPM,
author = "R. Lochmann and Th. Weller",
title = "Calculation of periodic molecular systems with
perturbed periodicity within the {PCILO} framework.
{II}. {Model} systems",
journal = j-IJQC,
volume = "25",
number = "6",
pages = "1061--1067",
month = jun,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250611",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Avery:1984:FQM,
author = "John Avery and Wen Zhen-Yi",
title = "A formulation of the quantum-mechanical many-body
problem in terms of hyperspherical coordinates",
journal = j-IJQC,
volume = "25",
number = "6",
pages = "1069--1087",
month = jun,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250612",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gould:1984:UGAc,
author = "M. D. Gould and G. S. Chandler",
title = "Unitary group approach to the many-electron problem.
{III}. {Matrix} elements of spin-dependent
{Hamiltonians}",
journal = j-IJQC,
volume = "25",
number = "6",
pages = "1089--1109",
month = jun,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250613",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kent:1984:UGA,
author = "R. D. Kent and M. Schlesinger",
title = "Unitary group approach to crystal field theory:
{Projection} operator approach",
journal = j-IJQC,
volume = "25",
number = "6",
pages = "1111--1121",
month = jun,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250614",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lazzeretti:1984:MPI,
author = "P. Lazzeretti and E. Rossi and R. Zanasi",
title = "Magnetic properties and induced current density in
acetylene",
journal = j-IJQC,
volume = "25",
number = "6",
pages = "1123--1134",
month = jun,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250615",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Simons:1984:GDD,
author = "Jack Simons and Poul J{\o}rgensen",
title = "Geometrical derivatives of dipole moments and
polarizabilities",
journal = j-IJQC,
volume = "25",
number = "6",
pages = "1135--1150",
month = jun,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250616",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1984:Mf,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "25",
number = "6",
pages = "fmi--fmii",
month = jun,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560250601",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gadea:1984:EVB,
author = "Xavier Gadea and Daniel Maynau and Jean-Paul
Malrieu",
title = "Effective valence bond {Hamiltonian} for the cations
of conjugated hydrocarbons",
journal = j-IJQC,
volume = "26",
number = "1",
pages = "1--20",
month = jul,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260102",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bohm:1984:ILM,
author = "Stanislav B{\"o}hm and Josef Kuthan",
title = "An ab initio {LCAO--MO} study of the substituent
effect in benzenoid systems: {Meta}- and
para-substituted benzoic acids",
journal = j-IJQC,
volume = "26",
number = "1",
pages = "21--33",
month = jul,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260103",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dmitriev:1984:TCM,
author = "Yuri Yu. Dmitriev and Bj{\"o}rn O. Roos",
title = "Theory and computational methods for studies of
nonlinear phenomena in laser spectroscopy. {I}.
{General} formalism",
journal = j-IJQC,
volume = "26",
number = "1",
pages = "35--49",
month = jul,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260104",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Roos:1984:TCM,
author = "Bj{\"o}rn O. Roos and Yuri Yu. Dmitriev and Matti
Hotokka",
title = "Theory and computational methods for studies of
nonlinear phenomena in laser spectroscopy. {II}.
{Calculations} of steady-state wave functions",
journal = j-IJQC,
volume = "26",
number = "1",
pages = "51--68",
month = jul,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260105",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Randic:1984:SPC,
author = "Milan Randi{\'c} and Michael I. Davis",
title = "Symmetry properties of chemical graphs. {VI}.
{Isomerizations} of octahedral complexes",
journal = j-IJQC,
volume = "26",
number = "1",
pages = "69--89",
month = jul,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260106",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sapse:1984:ICG,
author = "A. M. Sapse and C. S. Russell",
title = "Ab initio calculations of guanidinium--carboxylate
interaction",
journal = j-IJQC,
volume = "26",
number = "1",
pages = "91--99",
month = jul,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260107",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pickup:1984:UGF,
author = "B. T. Pickup and A. Mukhopadhyay",
title = "A unitary group formulation of many-body theory: {The}
spin-shift formalism",
journal = j-IJQC,
volume = "26",
number = "1",
pages = "101--123",
month = jul,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260108",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mukhopadhyay:1984:UGF,
author = "Atri Mukhopadhyay and Barry T. Pickup",
title = "A unitary group formulation of many-body theory:
{Diagram} systematics and use of the spin shifts",
journal = j-IJQC,
volume = "26",
number = "1",
pages = "125--143",
month = jul,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260109",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Balbas:1984:RBT,
author = "L. C. Balb{\'a}s and M. L. Zorita and J. A. Alonso",
title = "Relation between total energy, electronic potential at
the nucleus, and chemical potential of positive ions",
journal = j-IJQC,
volume = "26",
number = "1",
pages = "145--149",
month = jul,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260110",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mayer:1984:BOV,
author = "I. Mayer",
title = "Bond order and valence: {Relations} to {Mulliken}'s
population analysis",
journal = j-IJQC,
volume = "26",
number = "1",
pages = "151--154",
month = jul,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260111",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1984:Mg,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "26",
number = "1",
pages = "fmi--fmii",
month = jul,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260101",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Thakkar:1984:AEI,
author = "Ajit J. Thakkar and A. N. Tripathi and Vedene H.
{Smith, Jr.}",
title = "Anisotropic electronic intracule densities for
diatomics",
journal = j-IJQC,
volume = "26",
number = "2",
pages = "157--166",
month = aug,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260202",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Les:1984:HGG,
author = "Andrzej Le{\'s} and S{\l}awomir Grabowski",
title = "Hydration of {GABA} and of the {GABA$\cdot$ZN$^{2+}$}
complex: {A Monte Carlo} simulation study",
journal = j-IJQC,
volume = "26",
number = "2",
pages = "167--181",
month = aug,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260203",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hilal:1984:ESP,
author = "Rifaat Hilal and Hussein Moustafa",
title = "Electronic structure of the peptide linkage. {I}.
{Equilibrium} geometry and electronic properties of
formhydroxamic acid",
journal = j-IJQC,
volume = "26",
number = "2",
pages = "183--196",
month = aug,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260204",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dovesi:1984:IHF,
author = "Roberto Dovesi",
title = "Ab initio {Hartree--Fock} approach to the study of
polymers: {Application} to polyacetylenes",
journal = j-IJQC,
volume = "26",
number = "2",
pages = "197--212",
month = aug,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260205",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Adamowicz:1984:NEN,
author = "Ludwik Adamowicz and Rodney J. Bartlett",
title = "New efficient numerical method for solving pair
correlation equations for diatomic molecules",
journal = j-IJQC,
volume = "26",
number = "2",
pages = "213--221",
month = aug,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260206",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sapse:1984:ISNa,
author = "Anne-Marie Sapse and Louis Osorio and Grace Snyder",
title = "Ab initio studies of negative ion-molecule(s) clusters
present in the atmosphere. {II}. {OH$^-$ (H$_2$O)$_n$}
for $n = 0, 2, 3, 4$",
journal = j-IJQC,
volume = "26",
number = "2",
pages = "223--230",
month = aug,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260207",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sapse:1984:ISNb,
author = "Anne-Marie Sapse and Louis Osorio and Grace Snyder",
title = "Ab initio studies of negative ion-molecule(s) clusters
present in the atmosphere. {III}. {OH$^-$(CO$_2$)$_n$}
for {$n = 1, 2$}",
journal = j-IJQC,
volume = "26",
number = "2",
pages = "231--236",
month = aug,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260208",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rawlings:1984:TIEa,
author = "Diane C. Rawlings and Ernest R. Davidson and Martin
Gouterman",
title = "Theoretical invstigations of the electronic states of
porphyrins. {I}. {Basis} set development and predicted
spectrum of pyrrole",
journal = j-IJQC,
volume = "26",
number = "2",
pages = "237--250",
month = aug,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260209",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rawlings:1984:TIEb,
author = "Diane C. Rawlings and Ernest R. Davidson and Martin
Gouterman",
title = "Theoretical investigations of the electronic states of
porphyrins. {II}. {Normal} and hyper phosphorus
porphyrins",
journal = j-IJQC,
volume = "26",
number = "2",
pages = "251--274",
month = aug,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260210",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Helgaker:1984:SQA,
author = "Trygve U. Helgaker and Jan Alml{\"o}f",
title = "A second-quantization approach to the analytical
evaluation of response properties for
perturbation-dependent basis sets",
journal = j-IJQC,
volume = "26",
number = "2",
pages = "275--291",
month = aug,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260211",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Smeyers:1984:BRB,
author = "Yves G. Smeyers",
title = "Book Review: {{\booktitle{ETO multicenter molecular
integrals}}. Edited by Charles A. Weatherford and
Herbert W. Jones, D. Reidel P., Dordrecht, Holland,
1982. ISBN 90-277-1488-6}",
journal = j-IJQC,
volume = "26",
number = "2",
pages = "293--293",
month = aug,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260212",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Weatherford:1982:EMM}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Goscinski:1984:LL,
author = "Osvaldo Goscinski and Jean-Louis Calais",
title = "{L{\"o}wdin} lectures",
journal = j-IJQC,
volume = "26",
number = "2",
pages = "295--295",
month = aug,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260213",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1984:Mh,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "26",
number = "2",
pages = "fmi--fmii",
month = aug,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260201",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Herzig:1984:CGC,
author = "P. Herzig",
title = "{Clebsch--Gordan} coefficients for the group chains
{$O \supset T \supset D_2$} and {$T_d \supset T \supset
D_2$} by the method of projective representations",
journal = j-IJQC,
volume = "26",
number = "3",
pages = "297--312",
month = sep,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260302",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Esser:1984:DMM,
author = "M. Esser",
title = "Direct {MRCI} method for the calculation of
relativistic many-electron wavefunctions. {I}.
{General} formalism",
journal = j-IJQC,
volume = "26",
number = "3",
pages = "313--338",
month = sep,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260303",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ozkan:1984:GHO,
author = "{\.I}lker {\"O}zkan",
title = "General harmonic oscillator integrals by the operator
method",
journal = j-IJQC,
volume = "26",
number = "3",
pages = "339--347",
month = sep,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260304",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Takahashi:1984:BLA,
author = "M. Takahashi and J. Paldus",
title = "Bond length alternation in cyclic polyenes. {V}.
{Local} finite-order perturbation theory approach",
journal = j-IJQC,
volume = "26",
number = "3",
pages = "349--371",
month = sep,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260305",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Adamowicz:1984:TDS,
author = "Ludwik Adamowicz and E. A. {McCullough, Jr.}",
title = "{N}$^2$-time-dependent {SCF} scheme",
journal = j-IJQC,
volume = "26",
number = "3",
pages = "373--381",
month = sep,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260306",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Paniagua:1984:LMO,
author = "Juan Carlos Paniagua and Albert Moyano and Luis
Mar{\'\i}a Tel",
title = "Localized molecular orbitals for multiple bonds in the
{ZDO} approximation: {The} $\sigma$-$\pi$ vs. banana
bonds dilemma",
journal = j-IJQC,
volume = "26",
number = "3",
pages = "383--403",
month = sep,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260307",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kibler:1984:MPR,
author = "Maurice Kibler and Tidjani Negadi",
title = "Motion of a particle in a ring-shaped potential: {An}
approach via a nonbijective canonical transformation",
journal = j-IJQC,
volume = "26",
number = "3",
pages = "405--410",
month = sep,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260308",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Novaro:1984:MAP,
author = "O. Novaro and S. Castillo",
title = "Multibody analysis of potential energy surfaces for
first- and second-row tetramers. {I}. {The} tetrahedral
structures of {P$_4$} and {N$_4$}",
journal = j-IJQC,
volume = "26",
number = "3",
pages = "411--423",
month = sep,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260309",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Laurence:1984:RPT,
author = "Patricia R. Laurence and Timothy R. Proctor and Peter
Politzer",
title = "Reactive properties of {\em trans\/}-dichlorooxirane
in relation to the contrasting carcinogenicities of
vinyl chloride and {\em trans\/}-dichloroethylen",
journal = j-IJQC,
volume = "26",
number = "3",
pages = "425--438",
month = sep,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260310",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Slanina:1984:ACI,
author = "Zden{\v{e}}k Slanina",
title = "Adsorption-complex isomerism and quantum-chemical
studies in heterogeneous catalysis",
journal = j-IJQC,
volume = "26",
number = "3",
pages = "439--439",
month = sep,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260311",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1984:Mi,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "26",
number = "3",
pages = "fmi--fmii",
month = sep,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260301",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gould:1984:SDU,
author = "M. D. Gould and G. S. Chandler",
title = "A spin-dependent unitary group approach to
many-electron systems",
journal = j-IJQC,
volume = "26",
number = "4",
pages = "441--455",
month = oct,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260403",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Oriade:1984:BZD,
author = "J. O. O. Oriade",
title = "Brillouin-zone double integrals",
journal = j-IJQC,
volume = "26",
number = "4",
pages = "457--461",
month = oct,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260404",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Golovko:1984:IDP,
author = "V. F. Golovko",
title = "Iterative degenerate perturbation theory",
journal = j-IJQC,
volume = "26",
number = "4",
pages = "463--478",
month = oct,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260405",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tillieu:1984:UAL,
author = "Jacques Tillieu and Augustin {Van Groenendael}",
title = "Usage de l'alg{\`e}gbre de {Lie} ${\rm su}(n)$ dans
l'{\'e}tude des syst{\`e}mes quantiques {\`a} $n$
{\'e}tats. {III}. {D{\'e}finition} et obtention des
constantes du mouvement conjoncturelles. ({French})
[{Use} of {Lie} algebra {${\rm su}(n)$} in the study of
quantum systems of $n$ states. {III}. {Definition} and
determination of conjectured constants of movement]",
journal = j-IJQC,
volume = "26",
number = "4",
pages = "479--488",
month = oct,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260406",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
language = "French",
onlinedate = "19 Oct 2004",
}
@Article{Katriel:1984:WTM,
author = "J. Katriel and D. Feller and E. R. Davidson",
title = "Why is there a molecular relativistic effect?",
journal = j-IJQC,
volume = "26",
number = "4",
pages = "489--495",
month = oct,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260407",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fernandez:1984:PTW,
author = "Francisco M. Fern{\'a}ndez and Eduardo A. Castro",
title = "Perturbation theory without wave function for
multidimensional systems",
journal = j-IJQC,
volume = "26",
number = "4",
pages = "497--505",
month = oct,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260408",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dinesha:1984:CIM,
author = "K. V. Dinesha and Juergen Hinze",
title = "Configuration interaction matrix elements for atoms
using permutation group algebra",
journal = j-IJQC,
volume = "26",
number = "4",
pages = "507--519",
month = oct,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260409",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Feng:1984:MAP,
author = "W. L. Feng and O. Novaro",
title = "Multibody analysis of potential energy surfaces for
first- and second-row tetramers. {II}. {The} cases of
{O$_4$} and {S$_4$}",
journal = j-IJQC,
volume = "26",
number = "4",
pages = "521--533",
month = oct,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260410",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ishida:1984:MIA,
author = "Kazuhiro Ishida",
title = "Molecular integrals arising in the linear response
theory of {van der Waals} forces",
journal = j-IJQC,
volume = "26",
number = "4",
pages = "535--559",
month = oct,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260411",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1984:EN,
author = "Per-Olov L{\"o}wdin and Jean-Louis Calais and Yngve
{\"O}hrn",
title = "Editor' {Note}",
journal = j-IJQC,
volume = "26",
number = "4",
pages = "i--i",
month = oct,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260402",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1984:Mj,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "26",
number = "4",
pages = "fmi--fmii",
month = oct,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260401",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:45 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{DelRe:1984:MEP,
author = "Giuseppe {Del Re} and Vincenzo Barone and Francesco
Lelj",
title = "The mechanisms of elementary physicochemical
processes: {An} introductory report",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "563--591",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260503",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Serre:1984:TAC,
author = "Josiane Serre",
title = "Theoretical approach of the chemical reactivity: {The
S$_N$} 2 reaction",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "593--605",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260504",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Havlas:1984:TSR,
author = "Zden{\v{e}}k Havlas and Rudolf Zahradn{\'\i}k",
title = "Theoretical studies of reaction mechanism in
chemistry",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "607--619",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260505",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Barone:1984:GPU,
author = "Vincenzo Barone and Nadia Bianchi and Francesco Lelj
and Nino Russo",
title = "Gas phase unimolecular 1,1-hydrogen elimination:
{Reaction} mechanism and isotope effect",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "621--636",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260506",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bonaccorsi:1984:SII,
author = "Rosanna Bonaccorsi and Caterina Ghio and Jacopo
Tomasi",
title = "On a semiclassical interpretation of inter- and
intramolecular interactions",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "637--686",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260507",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Parr:1984:RCA,
author = "Robert G. Parr",
title = "Remarks on the concept of an atom in a molecule and on
charge transfer between atoms on molecule formation",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "687--692",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260508",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{McWeeny:1984:SML,
author = "R. McWeeny",
title = "Simple models for large-molecule calculations",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "693--708",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260509",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Julg:1984:CCB,
author = "A. Julg",
title = "The concept of the chemical bond",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "709--715",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260510",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Delhalle:1984:CLD,
author = "J. Delhalle",
title = "Convergence of {LCAO} density matrices in
{Hartree---Fock} calculations on extended model
chains",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "717--723",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260511",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Stoll:1984:PCI,
author = "Hermann Stoll and L{\'a}szl{\"o} V. Szentp{\'a}ly and
Patricio Fuentealba and J{\"u}rgen Flad and Michael
Dolg and Franz-xaver Fraschio and Peter Schwerdtfeger
and Gudrun Igel and Heinzwerner Preuss",
title = "Pseudopotential calculations including core-valence
correlation: {Alkali} and noble-metal compounds",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "725--727",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260512",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Skancke:1984:IBT,
author = "Per N. Skancke",
title = "On the interplay between theory and experiment in
molecular structure problems: {Some} case studies",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "729--741",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260513",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fliszar:1984:CDC,
author = "S{\'a}ndor Flisz{\'a}r",
title = "Charge distributions and chemical effects. {XXXIV}.
{Concepts} involved in an approximate, but accurate,
description of bond energies",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "743--752",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260514",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Seel:1984:EIQ,
author = "M. Seel",
title = "The effect of an impurity in quasi-one-dimensional
systems: {Green}'s function and cluster model approach
in comparison",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "753--768",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260515",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Montella:1984:CTA,
author = "Nicola Montella and Vincenzo Barone and Giuseppe {Del
Re}",
title = "Charge transfer in adsorbate-substrate systems:
{Extension} of the {Anderson--Newns} treatment to two-
and three-dimensional substrates",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "769--774",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260516",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bourg:1984:PRT,
author = "M. Bourg",
title = "Preliminary results of a theoretical ab initio model
study of adsorption on ionic crystals",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "775--781",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260517",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pucci:1984:DGE,
author = "R. Pucci and M. Baldo and A. Martin-Rodero and G.
Piccitto and P. Tomasello",
title = "Dimensional and geometrical effects on the electronic
structure of polycyclic hydrocarbons",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "783--791",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260518",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sauer:1984:QCS,
author = "Joachim Sauer and Rudolf Zahradn{\'\i}k",
title = "Quantum chemical studies on zeolites and silica",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "793--822",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260519",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Iadonisi:1984:EHP,
author = "Giuseppe Iadonisi and Andrea C. Levi",
title = "Electron-hole pair excitation in atom-surface
scattering",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "823--830",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260520",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Collins:1984:RTM,
author = "T. C. Collins and M. Chandrasekhar and M. Seel",
title = "A review of a theoretical model of the excitonic
superconductivity in {CdS} and {CuCl}",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "831--841",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260521",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Avery:1984:MBS,
author = "John Avery",
title = "A model for biological specificity",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "843--855",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260522",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hobza:1984:OHE,
author = "Pavel Hobza and Rudolf Zahradn{\'\i}k and Janos
Ladik",
title = "Origin of high efficiency and specificity of
biochemical reactions",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "857--872",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260523",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Paolillo:1984:SFP,
author = "L. Paolillo and S. Andini and L. Ferrara and S.
Wurzburger",
title = "Structure and function of protamines: {An}
investigation of clupeine properties by nuclear
magnetic resonance",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "873--888",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260524",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Temussi:1984:SAR,
author = "P. A. Temussi and F. Lelj and T. Tancredi and M. A.
Castiglione Morelli and A. Pastore",
title = "Soft agonist receptor interactions: {Theoretical} and
experimental simulation of the active site of the
receptor of sweet molecules",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "889--906",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260525",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sandorfy:1984:PPS,
author = "C. Sandorfy",
title = "The photochemical primary step and the potential in
the proton bridge of the chromophore of visual pigments
and bacteriorhodopsin",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "907--915",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260526",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Avery:1984:MPP,
author = "John Avery",
title = "A model of the primary process in photosynthesis",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "917--931",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260527",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Theophanides:1984:MIB,
author = "T. Theophanides",
title = "Metal ions in biological system",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "933--941",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260528",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ricard:1984:DER,
author = "Jacques Ricard and Georges Noat",
title = "Dynamics of enzyme reactions in solution and in
heterogeneous media",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "943--953",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260529",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ladik:1984:PPM,
author = "J{\'a}nos Ladik and Ji{\v{r}}{\'\i}
{\v{C}}{\'\i}{\v{z}}ek",
title = "Probable physical mechanisms of the activation of
oncogenes through carcinogens",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "955--964",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260530",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1984:Mk,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "fmi--fmii",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260501",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{DelRe:1984:I,
author = "Giuseppe {Del Re}",
title = "Introduction",
journal = j-IJQC,
volume = "26",
number = "5",
pages = "v--vi",
month = nov,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260502",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gutowski:1984:EBS,
author = "Maciej Gutowski and Grzegorz Cha{\l}asi{\'n}ski and
Jeanne {Van Duijneveldt-Van De Rijdt}",
title = "Effective basis sets for calculations of
exchange-repulsion energy",
journal = j-IJQC,
volume = "26",
number = "6",
pages = "971--982",
month = dec,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260602",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mezey:1984:MPR,
author = "Paul G. Mezey",
title = "The metric properties of the reduced nuclear
configuration space",
journal = j-IJQC,
volume = "26",
number = "6",
pages = "983--985",
month = dec,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260603",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Oriade:1984:SCF,
author = "Joseph Oriade",
title = "Solution of a correlation function's defining integral
equation for complex domains",
journal = j-IJQC,
volume = "26",
number = "6",
pages = "987--992",
month = dec,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260604",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fratev:1984:CPC,
author = "F. Fratev and V. Enchev and P. Karadakov and O.
Casta{\~n}o",
title = "A classification of polyenes into {$4L + 2$}- and
{$4L$}-classes on the basis of {Coulson}'s bond orders
and information theory and its application to the
interpretation of electrocyclic reactions",
journal = j-IJQC,
volume = "26",
number = "6",
pages = "993--1015",
month = dec,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260605",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Nicolaides:1984:MET,
author = "C. A. Nicolaides and Th. Mercouris and Y. Komninos",
title = "Many-electron theory of autoionizing states using
complex coordinates: {The} position and the partial and
total widths of the {Ne$^+$} $1s$ hole state",
journal = j-IJQC,
volume = "26",
number = "6",
pages = "1017--1027",
month = dec,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260606",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fabbri:1984:SCA,
author = "M. Fabbri and L. F. Perondi",
title = "Statistical computer-aided calculation of molecular
integrals",
journal = j-IJQC,
volume = "26",
number = "6",
pages = "1029--1037",
month = dec,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260607",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Natiello:1984:CPH,
author = "Mario A. Natiello and Gustavo E. Scuseria",
title = "Convergence properties of {Hartree--Fock SCF}
molecular calculations",
journal = j-IJQC,
volume = "26",
number = "6",
pages = "1039--1049",
month = dec,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260608",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sen:1984:SES,
author = "K. D. Sen",
title = "Semiempirical estimates of static multipole
polarizabilities for free atoms",
journal = j-IJQC,
volume = "26",
number = "6",
pages = "1051--1052",
month = dec,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260609",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1984:Ml,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "26",
number = "6",
pages = "fmi--fmii",
month = dec,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260601",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Wald:1984:LMU,
author = "George Wald",
title = "Life and mind in the universe",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "1--15",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260703",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Fox:1984:MSR,
author = "Sidney W. Fox",
title = "Molecular selection in the roots of evolved life and
mind",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "17--29",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260704",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Lowdin:1984:SAR,
author = "Per-Olov L{\"o}wdin",
title = "Some aspects on the relation between the natural
sciences and the human mind: {An} introduction to a
panel discussion on the ``origin of life and mind''",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "31--43",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260705",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Mishra:1984:LSX,
author = "R. K. Mishra",
title = "The living state. {XIII}. {Does} matter become
``mind''?",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "45--53",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260706",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Landsberg:1984:TGP,
author = "P. T. Landsberg",
title = "Two general problems in quantum biology",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "55--61",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260707",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Szent-Gyorgyi:1984:P,
author = "Albert Szent-Gy{\"o}rgyi",
title = "Protometabolism",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "63--67",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260708",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Young:1984:EEO,
author = "Richard S. Young",
title = "Extraterrestrial exploration and the origin of life",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "69--72",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260709",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Stein:1984:MOB,
author = "D. L. Stein",
title = "A model for the origin of biological information",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "73--86",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260710",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Bedian:1984:OGC,
author = "Vahe Bedian",
title = "The origin of the genetic code",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "87--89",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260711",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Dose:1984:SIC,
author = "Klaus Dose",
title = "Self-instructed condensation of amino acids and the
origin of biological information",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "91--101",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260712",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Fox:1984:RAA,
author = "Sidney W. Fox and Charles R. Windsor",
title = "Reproducibility of amino acid compositions in repeated
copolymerizations of amino acids",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "103--108",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260713",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Findley:1984:GCT,
author = "A. M. Findley and G. L. Findley",
title = "Genetic coding theory: {Multiple} mitochondrial
genetic codes",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "109--116",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260714",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Luke:1984:TIR,
author = "Brian T. Luke and Abha G. Gupta and Gilda H. Loew and
James G. Lawless and David H. White",
title = "Theoretical investigation of the role of clay edges in
prebiotic peptide bond formation. {I}. {Structures} of
acetic acid, glycine, {H$_2$SO$_4$}, {H$_3$PO$_4$},
{Si(OH)$_4$}, and {Al(OH)}",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "117--135",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260715",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Randic:1984:NAS,
author = "Milan Randi{\'c}",
title = "Nonempirical approach to structure--activity studies",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "137--153",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260716",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Politzer:1984:HHE,
author = "Peter Politzer and Patricia R. Laurence",
title = "Halogenated hydrocarbon epoxides: {Factors} underlying
biological activity",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "155--166",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260717",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Reynolds:1984:ICR,
author = "Christopher Reynolds and Colin Thomson",
title = "Ab initio calculations relevant to the mechanism of
chemical carcinogenesis by {N}-nitrosamines. {I}. {The}
nitrosation of amines",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "167--181",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260718",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Mazurek:1984:TES,
author = "Aleksander P. Mazurek and Harel Weinstein and Roman
Osman and Sid Topiol and Barbara Jones Ebersole",
title = "Theoretical and experimental studies of drug--receptor
interactions: {Determinants} for recognition of
5-hydroxytryptamine analogs",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "183--194",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260719",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Brandt:1984:IGV,
author = "Richard B. Brandt and Jerome Laux and Colin Thomson
and Morris A. Johnson and Marvin Gross",
title = "Inhibition of glyoxalase {I} in vitro by flavones",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "195--200",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260720",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Scheiner:1984:IIA,
author = "Steve Scheiner and M. M. Szcz{\k{e}}{\'s}niak",
title = "Interactions involving aromatic systems: {Benzene} $+$
acetylene",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "201--208",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260721",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Morgan:1984:ESP,
author = "Hywel Morgan and Ronald Pethig",
title = "Experimental studies of proton transport in hydrated
lysozyme and $\alpha$-cyclodextrin",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "209--216",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260722",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Gascoyne:1984:AEE,
author = "Peter R. C. Gascoyne and Albert Szent-Gy{\"o}rgyi",
title = "Anomalous electrochemical and electron spin resonance
properties of some biologically relevant
methoxyl-substituted quinones",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "217--222",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260723",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Suhai:1984:FPC,
author = "S. Suhai",
title = "First principles charge transfer exciton theory of the
{UV} spectrum of {DNA}",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "223--235",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260724",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Kluge:1984:PSG,
author = "Gert Kluge and Gabriele Kania and Frank Achenbach and
Horst Wilde and Igor Novak and Leo Klasinc",
title = "Photoelectron spectra and gas phase tautomerism of
some pyrazolones",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "237--248",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260725",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Rabinowitz:1984:MSE,
author = "James R. Rabinowitz",
title = "A model for some of the effects of an externally
applied electric field on charged membrane
constituents",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "249--256",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260726",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Ray:1984:PDP,
author = "Naba K. Ray and Giorgio Bolis and Masayuki Shibata and
Robert Rein",
title = "Potential derived point charge model study of
electrostatic interaction energies in some complexes of
water with uracil, thymine, and cytosine",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "257--266",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260727",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Mezey:1984:HCR,
author = "Paul G. Mezey",
title = "Hyperspherical coordinate representation of potential
surfaces of large molecules",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "267--272",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260728",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Furois-Corbin:1984:ENA,
author = "Sylvie Furois-Corbin and Bernard Pullman and Richard
Lavery",
title = "Effect of nucleic acid flexibility upon {ASIF}
(accessible surface integrated field). {Possible}
significance for biochemical reactivity exemplified by
aflatoxin {B$_1$} binding",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "273--286",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260729",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Pack:1984:NDC,
author = "George R. Pack and C. V. Prasad",
title = "New developments in computational polyelectrolyte
theory",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "287--299",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260730",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Mehrotra:1984:MCD,
author = "P. K. Mehrotra and M. Mezei and D. L. Beveridge",
title = "{Monte Carlo} determination of the internal energies
of hydration for the {Ala} dipeptide in the {C$_7$},
{C$_5$}, {$\alpha_R$}, and {P$_{II}$} conformations",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "301--308",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260731",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Gascoyne:1984:QAF,
author = "Peter R. C. Gascoyne and Jane A. McLaughlin and Ronald
Pethig and Albert Szent-Gy{\"o}rgyi and Chiu-Nan Lai
and Frederick F. Becker",
title = "Quenching of anionic free radicals by normal and
transformed cells: {A} probe of phenotypic changes",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "309--314",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260732",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Venkatachalam:1984:LGA,
author = "C. M. Venkatachalam and S. Alonso-Romanowski and K. U.
Prasad and D. W. Urry",
title = "The {Leu$^5$} gramicidin {A} analog: {Molecular}
mechanics calculations and analysis of single channel
steps related to multiplicity of conducting states",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "315--326",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260733",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Pohl:1984:EC,
author = "Herbert A. Pohl and K. Pollock and H. Rivera",
title = "The electrofusion of cells",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "327--345",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260734",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Georgian:1984:HDS,
author = "T. Georgian and J. M. Halpin and G. L. Findley",
title = "{Hamiltonian} dynamics of simple chemical reactions",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "347--353",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260735",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Sundaralingam:1984:NHR,
author = "Muttaiya Sundaralingam and John R. Rubin and John F.
Cannon",
title = "Nonenzymatic hydrolysis of {RNA}: {Pb(II)}-catalyzed
site specific hydrolysis of transfer {RNA}. {The} role
of the tertiary folding of the polynucleotide chain",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "355--366",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260736",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Pohl:1984:NAF,
author = "Herbert A. Pohl",
title = "Natural alternating fields associated with living
cells",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "367--368",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260737",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Anonymous:1984:Ia,
author = "Anonymous",
title = "Introduction",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "vii--viii",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260702",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Anonymous:1984:Mm,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "26",
number = "S11",
pages = "fmi--fmi",
day = "12--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260701",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:43 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Ohno:1984:PMK,
author = "Kimio Ohno",
title = "{Professor Masao Kotani}",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "1--9",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260803",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Kotani:1984:SRM,
author = "Masao Kotani",
title = "Scientific reminiscence---my pilgrimage through
quantum molecular sciences",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "11--20",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260804",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Faxen:1984:IR,
author = "Magnus Faxen",
title = "Introductory remarks",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "21--24",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260805",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Shull:1984:SIR,
author = "Harrison Shull",
title = "Science and international relations: {Competitive}
cooperation",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "25--32",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260806",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Obcemea:1984:RTO,
author = "Ch. Obcemea",
title = "Response theory of open quantum systems",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "33--41",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260807",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Matsen:1984:CGS,
author = "F. A. Matsen",
title = "Canonical generator states and their symmetry
adaptation",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "43--56",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260808",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Morales:1984:AAO,
author = "J. Morales and A. Palma and M. Berrondo",
title = "Algebraic approach to one- and two-center harmonic
oscillator integrals",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "57--60",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260809",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Jones:1984:FTC,
author = "Herbert W. Jones",
title = "Formulas for three-center exchange integrals by
computer implementation of the {L{\"o}wdin}
$\alpha$-function method",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "61--66",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260810",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Calais:1984:CCW,
author = "Jean-Louis Calais and Juan Antonio Cogordan",
title = "Charge current waves in a one-dimensional {Coulomb}
gas",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "67--76",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260811",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Mezey:1984:ASQ,
author = "Paul G. Mezey",
title = "The algebraic structure of quantum-chemical reaction
mechanisms",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "77--85",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260812",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Brown:1984:GNM,
author = "Robert G. Brown and Mikael Ciftan",
title = "A generalized non-muffin-tin theory of band
structure",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "87--104",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260813",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Chelikowsky:1984:TEM,
author = "James R. Chelikowsky and Steven G. Louie and David
Vanderbilt and C. T. Chan",
title = "Total energy method for solids and solid surfaces",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "105--120",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260814",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Lobatch:1984:CSC,
author = "V. A. Lobatch and A. B. Sobolev and I. R. Rubik and O.
E. Taurian and J.-L. Calais",
title = "A critical study of the cluster model for ionic
crystals",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "121--130",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260815",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Laaksonen:1984:TMS,
author = "Aatto Laaksonen and Giorgina Corongiu and Enrico
Clementi",
title = "Theoretical modeling of sodium chloride and related
systems. {I}. {The} interaction energies",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "131--140",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260816",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Delhalle:1984:ECA,
author = "Joseph Delhalle and Joseph G. Fripiat and Frank E.
Harris",
title = "Evaluation of computational aspects of a modified
{CS--LCAO--SCF--CO} strategy for electronic structure
calculations of extended model chains",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "141--152",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260817",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Ihaya:1984:ICO,
author = "Y. J. I'haya and S. Narita and Y. Fujita and H.
Ujino",
title = "Ab initio crystal orbital calculations on {(CH)$_n$}
and {(HF)$_n$} with extended basis sets",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "153--159",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260818",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Suhai:1984:ECE,
author = "S. Suhai",
title = "Electron correlation effects on the mechanical and
optical properties of polymers",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "161--171",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260819",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Salahub:1984:ECA,
author = "D. R. Salahub and F. Raatz",
title = "Effects of chemisorption and alloying on the magnetism
of nickel clusters",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "173--182",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260820",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Ellis:1984:LDS,
author = "D. E. Ellis",
title = "Local density studies on transition-metal clusters,
surfaces, and the oxide defect state",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "183--193",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260821",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Hale:1984:IET,
author = "Paul D. Hale and Mark A. Ratner",
title = "Intramolecular electron transfer, with bridge
assistance and without, in molecules and models",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "195--211",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260822",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Logan:1984:FGE,
author = "J. Logan and M. D. Newton and J. O. Noell",
title = "Factors governing electronic localization in
transition metal clusters and complexes",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "213--235",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260823",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Paldus:1984:DCC,
author = "J. Paldus and M. Takahashi and B. W. H. Cho",
title = "Degeneracy and coupled-cluster approaches",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "237--244",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260824",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Adamowicz:1984:AGC,
author = "L. Adamowicz and W. D. Laidig and R. J. Bartlett",
title = "Analytical gradients for the coupled-cluster method",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "245--254",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260825",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Sekino:1984:LRC,
author = "Hideo Sekino and Rodney J. Bartlett",
title = "A linear response, coupled-cluster theory for
excitation energy",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "255--265",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260826",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Stolarczyk:1984:CCM,
author = "Leszek Z. Stolarczyk and Hendrik J. Monkhorst",
title = "Coupled-cluster method with optimized reference
state",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "267--291",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260827",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Blinder:1984:GFP,
author = "S. M. Blinder",
title = "On {Green}'s functions, propagators, and {Sturmians}
for the nonrelativistic {Coulomb} problem",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "293--307",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260828",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Pickup:1984:SSP,
author = "B. T. Pickup and A. Mukhopadhyay",
title = "Spin-shift propagators",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "309--319",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260829",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Avery:1984:AHC,
author = "John Avery and Birte L. Christensen-Dalsgaard and
Peter Sommer Larsen and Shen Hengyi",
title = "Application of hyperspherical coordinates to the
correlation problem",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "321--338",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260830",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Deumens:1984:GCA,
author = "E. Deumens and L. Lathouwers and P. {Van Leuven} and
Y. {\"O}hrn",
title = "The generator coordinate approximation for
{H$_2$}$^+$",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "339--346",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.56026083",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Mele:1984:NIT,
author = "E. J. Mele and J. Socolar",
title = "Numerical integration of the time evolution operator:
{Excited}-state dynamics in conjugated molecules",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "347--358",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260832",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Liberman:1984:USO,
author = "David A. Liberman",
title = "The use of scaled orbital functions in self-consistent
field calculations for atoms",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "359--368",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260833",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Boucekkine-Yaker:1984:BSE,
author = "Gh. Boucekkine-Yaker and A. Boucekkine and G.
Berthier",
title = "Basis-set effects on calculated molecular magnetic
properties",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "369--374",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260834",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Ishikawa:1984:BSE,
author = "Yasuyuki Ishikawa",
title = "Basis-set expansion calculations with the {Dirac
Hamiltonian}",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "375--383",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260835",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Simas:1984:PWA,
author = "Alfredo M. Simas and Vedene H. {Smith, Jr.} and Ajit
J. Thakkar",
title = "Partial-wave analysis of the momentum densities of
$14$ electron diatomics",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "385--392",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260836",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Adams:1984:EPT,
author = "William H. Adams and Meredith M. Clayton and E. E.
Polymeropoulos",
title = "Exchange perturbation theory calculations of the
interaction energy between two ground-state hydrogen
atoms",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "393--406",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260837",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Duke:1984:SIM,
author = "B. J. Duke and Brian O'leary",
title = "The simulated ab initio molecular orbital {(SAMO)}
method. {VIII}. {A} study of linear polyfluoroethylenes
and polychloroethylenes",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "407--432",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260838",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Barzaghi:1984:RCR,
author = "M. Barzaghi and R. Bianchi and C. Gatti and M.
Simonetta",
title = "The ring closure reaction in
1,6-methano-[10]annulene",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "433--438",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260839",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Cullen:1984:TCB,
author = "John M. Cullen and William N. Lipscomb and Michael C.
Zerner",
title = "The three-center bond model for molecular electronic
structure",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "439--448",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260840",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Austin:1984:PTS,
author = "E. J. Austin",
title = "Perturbation theory studies of the hydrogen {Zeeman}
effect---preliminary results",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "449--455",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260841",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Langhoff:1984:VLI,
author = "Stephen R. Langhoff and Charles W. {Bauschlicher, Jr.}
and Harry Partridge",
title = "On the validity of the {Land{\'e}} interval rule in
the alkaline earth atoms",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "457--466",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260842",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Beck:1984:FHS,
author = "Donald R. Beck and C. A. Nicolaides",
title = "Fine and hyperfine structure of the two lowest bound
states of {Be$^-$} and their first two ionization
thresholds",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "467--481",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260843",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Tossell:1984:SMO,
author = "J. A. Tossell and J. H. Moore and M. A. Coplan",
title = "Studies of molecular orbital momentum distributions by
$(e, 2e)$ spectroscopy",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "483--495",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260844",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Yamanouch:1984:CIH,
author = "Kaoru Yamanouch and Masashi Uematsu and Tamotsu Kondow
and Kozo Kuchitsu",
title = "Collisional ionization of a highly excited neon atom
by vibrational deexcitation of tetramethylsilane and
neopentane molecules",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "497--505",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260845",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Edwards:1984:SAG,
author = "W. Daniel Edwards and N. Yngve {\"O}hrn and Brian L.
Weiner and Michael C. Zerner",
title = "Semiempirical antisymmetrized geminal power
calculation for molecular spectra",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "507--517",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260846",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Stroyer-Hansen:1984:FDN,
author = "T. Stroyer-Hansen and E. N{\o}rby Svendsen",
title = "Frequency-dependent nonresonance {Raman} scattering",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "519--524",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260847",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Hameka:1984:FDD,
author = "Hendrik F. Hameka and Erik N{\o}rby Svendsen",
title = "Frequency dependence of dc electric-field-induced
second-harmonic generation",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "525--536",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260848",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Cvitas:1984:VSE,
author = "T. Cvita{\v{s}} and L. Klasinc and R. McDiarmid",
title = "Vibrational structures in the excited states of the
ethylene radical cation",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "537--546",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260849",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Szczesniak:1984:VSU,
author = "K. Szcz{\k{e}}{\'s}niak and M. Szczesniak and M. Nowak
and I. Scott and S. Chin and W. B. Person",
title = "Vibrational spectra of uracils: {Experimental}
infrared matrix studies and ab initio
quantum-mechanical calculations",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "547--569",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260850",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Nagakura:1984:EMF,
author = "Saburo Nagakura and Hisaharu Hayashi",
title = "External magnetic field effects upon photochemical
reactions",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "571--578",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260851",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Callis:1984:TDT,
author = "Patrik R. Callis",
title = "Transition density topology of the {L$_a$} and {L$_b$}
states in indoles and purines",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "579--588",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260852",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Green:1984:MMC,
author = "A. E. S. Green and R. R. Meyreddy and K. M.
Pamidimukkala",
title = "A molecular model of coal pyrolysis",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "589--599",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260853",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Clementi:1984:PQC,
author = "E. Clementi and G. Corongiu and J. Detrich and S. Chin
and L. Domingo",
title = "Parallelism in quantum chemistry: {Hydrogen} bond
study in {DNA} base pairs as an example",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "601--618",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260854",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Simas:1984:ACH,
author = "Alfredo M. Simas and Janusz Mrozek and Vedene H.
{Smith, Jr.}",
title = "Appraisal of computer hardware and software for
quantum-chemical calculations",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "619--638",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260855",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Knop:1984:PPR,
author = "J. V. Knop and K. Szymanski and N. Trinajsti{\'c}",
title = "Price--performance relationship of microcomputers and
main frames for calculations in theoretical chemistry",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "639--645",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260856",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Brickmann:1984:RCG,
author = "J{\"u}rgen Brickmann",
title = "Raster computer graphics in molecular physics",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "647--659",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260857",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Barysz:1984:NAC,
author = "M. Barysz and N. Trinajsti{\'c}",
title = "A novel approach to the characterization of chemical
structures",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "661--673",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260858",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Mezey:1984:NRP,
author = "Paul G. Mezey",
title = "Network relations on potential surfaces as aids to
computer-based quantum-chemical synthesis planning",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "675--681",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260859",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Cisneros:1984:AGC,
author = "Gerardo Cisneros and H. V. McIntosh and Carlos F.
Bunge",
title = "Automatic generation of configuration interaction
{Hamiltonian} matrix elements",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "683--689",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260860",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Kresin:1984:CRQ,
author = "V. Z. Kresin and W. A. {Lester, Jr.} and M. Dupuis and
C. E. Dateo",
title = "Chemical reaction as a quantum transition",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "691--700",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260861",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Corongiu:1984:MCL,
author = "J. Detrich G. Corongiu and E. Clementi",
title = "{Monte Carlo} liquid water simulations with four-body
interactions included",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "701--707",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260862",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Reynolds:1984:QMC,
author = "P. J. Reynolds and R. N. Barnett and W. A. {Lester,
Jr.}",
title = "Quantum {Monte Carlo} study of the classical barrier
height for the {H} $+$ {H$_2$} exchange reaction:
{Restricted} versus unrestricted trial functions",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "709--717",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260863",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Hermann:1984:SOM,
author = "M. R. Hermann and G. H. F. Diercksen and B. W. Fatyga
and P. W. Langhoff",
title = "{Stieltjes} orbitals for molecular photoexcitation and
ionization spectra: {N $\rightarrow$ V$_\sigma$} and {N
$\rightarrow$ V$_\pi$} resonance features in {CO} and
{H$_2$CO} cross sections",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "719--734",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260864",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Weatherford:1984:EMP,
author = "Charles A. Weatherford",
title = "Electron--molecule potentials using the {Gegenbauer}
addition theorem",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "735--735",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260865",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Baraff:1984:PDS,
author = "G. A. Baraff and M. Schluter",
title = "Point defects in semiconductors with strong
electron-lattice coupling",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "737--737",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260866",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Anonymous:1984:Ib,
author = "Anonymous",
title = "Introduction",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "iii--iv",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260802",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Anonymous:1984:Mn,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "26",
number = "S18",
pages = "fmi--fmi",
day = "1--15",
month = mar,
year = "1984",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560260801",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:04:53 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Supplement: Atomic, Molecular and Solid-State Theory,
and Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Lien:1985:TSC,
author = "Min H. Lien and Alan C. Hopkinson",
title = "A theoretical study of {C$_4$H$_5$N} isomers:
{Comparison} of cyano and isocyano as substituents",
journal = j-IJQC,
volume = "27",
number = "1",
pages = "1--10",
month = jan,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270102",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Varracchio:1985:FTC,
author = "E. Ficocelli Varracchio",
title = "Field theory of chemical reactions. {I}. {Ideal} space
representation of {$A + BC \rightarrow AC + B$}
processes",
journal = j-IJQC,
volume = "27",
number = "1",
pages = "11--44",
month = jan,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270103",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kotzev:1985:IFT,
author = "J. N. Kotzev and M. I. Aroyo and M. N. Angelova",
title = "Isoscalar factors for tetragonal, orthorhombic,
monoclinic and triclinic {Shubnikov} point groups",
journal = j-IJQC,
volume = "27",
number = "1",
pages = "45--58",
month = jan,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270104",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Duch:1985:EMC,
author = "W. Duch",
title = "Efficient method for computation of representation
matrices of the unitary group generators",
journal = j-IJQC,
volume = "27",
number = "1",
pages = "59--70",
month = jan,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270105",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Petke:1985:IQM,
author = "J. D. Petke and Paul Butler and Gerald M. Maggiora",
title = "Ab initio quantum-mechanical characterization of the
electronic states of anthraquinone, quinizarin, and
1,4-diamino anthraquinone",
journal = j-IJQC,
volume = "27",
number = "1",
pages = "71--87",
month = jan,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270106",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Taylor:1985:SOM,
author = "Peter R. Taylor",
title = "Symmetrization of operator matrix elements",
journal = j-IJQC,
volume = "27",
number = "1",
pages = "89--96",
month = jan,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270107",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Oriade:1985:WLA,
author = "Joseph Oriade",
title = "Warped linear analytic tetrahedral scheme for
{Brillouin} zone integrations",
journal = j-IJQC,
volume = "27",
number = "1",
pages = "97--101",
month = jan,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270108",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Leroy:1985:BRB,
author = "Georges Leroy",
title = "Book Review: {{\booktitle{Information theoretic
indices for characterization of chemical structures}}.
By Danail Bonchev, Wiley, New York, 1983}",
journal = j-IJQC,
volume = "27",
number = "1",
pages = "103--103",
month = jan,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270109",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Bonchev:1983:ITI}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Charbonneau:1985:A,
author = "K. Charbonneau",
title = "Announcement",
journal = j-IJQC,
volume = "27",
number = "1",
pages = "105--105",
month = jan,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270110",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1985:Ma,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "27",
number = "1",
pages = "fmi--fmii",
month = jan,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270101",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Oriade:1985:BZD,
author = "J. O. O. Oriade",
title = "{Brillouin} zone double integrals",
journal = j-IJQC,
volume = "27",
number = "2",
pages = "109--113",
month = feb,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270202",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Abu-Eittah:1985:ESP,
author = "Rafie Abu-Eittah and Rifaat Hilal and Hussein
Moustafa",
title = "Electronic structure of the peptide linkage. {II}. {A}
molecular orbital treatment of the electronic spectra
of benzohydroxamic acids",
journal = j-IJQC,
volume = "27",
number = "2",
pages = "115--133",
month = feb,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270203",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Patnaik:1985:CPD,
author = "Lalit N. Patnaik and Sarojini Das",
title = "Conformation of
p-dimethylaminobenzylidene-p-nitroaniline,
p-nitrobenzylidene-p-dimethylaminoaniline, their
stilbene and azobenzene derivatives",
journal = j-IJQC,
volume = "27",
number = "2",
pages = "135--144",
month = feb,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270204",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Baker:1985:ESP,
author = "Jon Baker",
title = "{EOM \slash Propagator} ionization potentials:
{Effect} of an extended operator manifold on the
predicted valence-shell ionization spectra of ethane,
ethylene, and acetylene",
journal = j-IJQC,
volume = "27",
number = "2",
pages = "145--157",
month = feb,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270205",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Smet:1985:TQEa,
author = "F. Smet and A. {Van Groenendael}",
title = "Sur la th{\'e}orie quantique des {\'e}quations de
{Hartree--Fock} d{\'e}pendant du temps. {III}.
{D{\'e}termination} d'un ensemble unique de spin
orbitales. ({French}) [{On} the quantum theory of
time-dependent {Hartree--Fock} equations. {III}.
Determination of a unique set of spin orbitals]",
journal = j-IJQC,
volume = "27",
number = "2",
pages = "159--166",
month = feb,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270206",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
language = "French",
onlinedate = "19 Oct 2004",
}
@Article{Smet:1985:TQEb,
author = "F. Smet and A. {Van Groenendael}",
title = "Sur la th{\'e}orie quantique des {\'e}quations de
{Hartree--Fock} d{\'e}pendant du temps. {IV}.
{Expression} matricielle du tenseur
d'hyperpolarisabilit{\'e} ({French}) [{On} the quantum
theory of time-dependent {Hartree--Fock} equations.
{IV}. {Matrix} expression for the hyperpolarizabilty
tensor]",
journal = j-IJQC,
volume = "27",
number = "2",
pages = "167--171",
month = feb,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270207",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
language = "French",
onlinedate = "19 Oct 2004",
}
@Article{Delgado-Barrio:1985:VPH,
author = "G. Delgado-Barrio and P. Villarreal and P. Mareca and
J. A. Beswick",
title = "Vibrational predissociation of highly vibrationally
excited {van der Waals} molecules: a quantal
close-coupling calculation",
journal = j-IJQC,
volume = "27",
number = "2",
pages = "173--180",
month = feb,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270208",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kaliannan:1985:AEP,
author = "P. Kaliannan and S. Vishveshwara and V. S. R. Rao",
title = "Anomeric effect in phosphate moieties of
carbohydrates: {An Ab} initio study",
journal = j-IJQC,
volume = "27",
number = "2",
pages = "181--194",
month = feb,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270209",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Flurry:1985:ASS,
author = "R. L. {Flurry, Jr.}",
title = "Approximate symmetries in the singly excited states of
helium",
journal = j-IJQC,
volume = "27",
number = "2",
pages = "195--202",
month = feb,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270210",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ulmer:1985:UTK,
author = "W. Ulmer",
title = "On a unified treatment of kinetics and diffusion, and
a connection to a nonlocal {Boltzmann} equation",
journal = j-IJQC,
volume = "27",
number = "2",
pages = "203--218",
month = feb,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270211",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Delhalle:1985:ACS,
author = "Joseph Delhalle and Frank E. Harris",
title = "An alternative computational strategy for direct space
{Hartree--Fock} calculations on extended model chains",
journal = j-IJQC,
volume = "27",
number = "2",
pages = "219--229",
month = feb,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270212",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sen:1985:EEE,
author = "K. D. Sen",
title = "Empirical estimates of electrostatic potentials at the
nuclei in molecules",
journal = j-IJQC,
volume = "27",
number = "2",
pages = "231--232",
month = feb,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270213",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Deng:1985:MHF,
author = "Conghao Deng",
title = "The modified {Hartree--Fock} self-consistent field
equation",
journal = j-IJQC,
volume = "27",
number = "2",
pages = "233--234",
month = feb,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270214",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1985:Mb,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "27",
number = "2",
pages = "fmi--fmii",
month = feb,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270201",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fernandez:1985:CIR,
author = "M. Fern{\'a}ndez and P. G{\'o}amez and P. Serna",
title = "Calculation of internal rotation spectra of three
molecules with increasing asymmetry factors",
journal = j-IJQC,
volume = "27",
number = "3",
pages = "235--244",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270302",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hiberty:1985:VBDa,
author = "P. C. Hiberty and G. Ohanessian",
title = "The valence bond description of conjugated molecules
i. {SCF} level",
journal = j-IJQC,
volume = "27",
number = "3",
pages = "245--257",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270303",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hiberty:1985:VBDb,
author = "P. C. Hiberty and G. Ohanessian",
title = "The valence bond description of conjugated molecules.
{II}. {A} very simple method to approximate the
structural weights of a fully correlated valence bond
wavefunction",
journal = j-IJQC,
volume = "27",
number = "3",
pages = "259--272",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270304",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Linderberg:1985:KEF,
author = "Jan Linderberg and Yngve {\"O}hrn",
title = "Kinetic energy functional in hyperspherical
coordinates",
journal = j-IJQC,
volume = "27",
number = "3",
pages = "273--280",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270305",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sapse:1985:ISF,
author = "A. M. Sapse and Duli C. Jain",
title = "Ab initio studies of {F$^-$ (H$_2$O)$_n$} and {Cl$^-$
(H$_2$O)$_n$} clusters for $n = 1, 2$",
journal = j-IJQC,
volume = "27",
number = "3",
pages = "281--292",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270306",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Contreras:1985:STC,
author = "Renato Contreras and Arie Aizman",
title = "On the {SCF} theory of continuum solvent effects
representation: {Introduction} of local dielectric
effects",
journal = j-IJQC,
volume = "27",
number = "3",
pages = "293--301",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270307",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mishra:1985:IBP,
author = "R. K. Mishra and S. K. Dubey and R. S. Tyagi",
title = "Interaction between photons, ``trapped electron'' and
vibronic excitation",
journal = j-IJQC,
volume = "27",
number = "3",
pages = "303--321",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270308",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bohm:1985:TIE,
author = "Michael C. B{\"o}hm",
title = "A theoretical investigation of electron correlation
and relaxation in organometallic polymers",
journal = j-IJQC,
volume = "27",
number = "3",
pages = "323--374",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270309",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1985:Mc,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "27",
number = "3",
pages = "fmi--fmii",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270301",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:46 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{FerreiraDaSilva:1985:HMT,
author = "A. {Ferreira Da Silva} and M. Fabbri",
title = "The hydrogen molecule for a two-dimensional system",
journal = j-IJQC,
volume = "27",
number = "4",
pages = "375--379",
month = apr,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270402",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See erratum \cite{FerreiraDaSilva:1985:EHM}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bickerstaff:1985:NSC,
author = "R. P. Bickerstaff and T. Damhus",
title = "A necessary and sufficient condition for the existence
of real coupling coefficients for a finite group",
journal = j-IJQC,
volume = "27",
number = "4",
pages = "381--391",
month = apr,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270403",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zorita:1985:LBK,
author = "M. L. Zorita and J. A. Alonso and L. C. Balbas",
title = "Local behavior of the kinetic energy in density
functional theory",
journal = j-IJQC,
volume = "27",
number = "4",
pages = "393--406",
month = apr,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270404",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zhang:1985:SEE,
author = "Qi-Yuan Zhang and Ji-Min Yan",
title = "Structure of the electronic energy bands of molecular
crystal {NMP-TCNQ}",
journal = j-IJQC,
volume = "27",
number = "4",
pages = "407--416",
month = apr,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270405",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{VanGroenendael:1985:UALa,
author = "Augustin {Van Groenendael}",
title = "Usage de l'alg{\`e}gbre de {Lie} ${\rm su}(n)$ dans
l'{\'e}tude des syst{\`e}mes quantiques {\`a} $n$
{\'e}tats. {IV}. {Geometrie} du domaine des vecteurs de
coh{\'e}rence. ({French}) [{Use} of {Lie} algebra
{${\rm su}(n)$} in the study of quantum systems of $n$
states. {IV}. {Geometry} of the domain of coherence
vectors]",
journal = j-IJQC,
volume = "27",
number = "4",
pages = "417--425",
month = apr,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270406",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
language = "French",
onlinedate = "19 Oct 2004",
}
@Article{Ray:1985:PDP,
author = "Naba K. Ray and Masayuki Shibata and Giorgio Bolis and
Robert Rein",
title = "Potential-Derived point-charge model study of
electrostatic interaction energies in some
hydrogen-bonded systems",
journal = j-IJQC,
volume = "27",
number = "4",
pages = "427--437",
month = apr,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270407",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ugalde:1985:AAE,
author = "J. M. Ugalde and Russell J. Boyd",
title = "Angular aspects of exchange correlation and the
{Fermi} hole",
journal = j-IJQC,
volume = "27",
number = "4",
pages = "439--449",
month = apr,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270408",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Casida:1985:WDL,
author = "Mark Casida",
title = "What do local energy maps tell about local error?",
journal = j-IJQC,
volume = "27",
number = "4",
pages = "451--460",
month = apr,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270409",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Schulz:1985:RIF,
author = "Joachim Schulz and R{\"u}diger Iffert and Karl Jug",
title = "On the rotational invariance of the {Fock} equations
in {INDO} methods using $d$ functions",
journal = j-IJQC,
volume = "27",
number = "4",
pages = "461--464",
month = apr,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270410",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Yan:1985:EST,
author = "Ji-Min Yan and Jian-Guo Zhao",
title = "Electronic structures of the $\pi$-$\pi$ type
charge-transfer complexes of pyridine with boron
trihalides",
journal = j-IJQC,
volume = "27",
number = "4",
pages = "465--473",
month = apr,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270411",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lunell:1985:HFC,
author = "Sten Lunell and Per {\"O}ster",
title = "{Hartree--Fock} calculations on quartet $s$, $p$, $d$,
and $f$ states of boron {III}",
journal = j-IJQC,
volume = "27",
number = "4",
pages = "475--479",
month = apr,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270412",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Iijima:1985:NCM,
author = "Naoto Iijima and A. Saika",
title = "A note on the convergence of multiconfigurational
many-body perturbation theory",
journal = j-IJQC,
volume = "27",
number = "4",
pages = "481--493",
month = apr,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270413",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1985:ACL,
author = "Per-Olov L{\"o}wdin",
title = "Approximate calculation of lifetimes of resonance
states in the continuum from real stabilization
graphs",
journal = j-IJQC,
volume = "27",
number = "4",
pages = "495--500",
month = apr,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270414",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1985:Md,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "27",
number = "4",
pages = "fmi--fmii",
month = apr,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270401",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Panin:1985:BLA,
author = "A. I. Panin",
title = "``Basis'' {Lie} algebra of electronic {Fock} space:
{Application} to evaluation of matrix elements of spin
tensor operators",
journal = j-IJQC,
volume = "27",
number = "5",
pages = "501--525",
month = may,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270502",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pipek:1985:COL,
author = "J. Pipek",
title = "Controlled orthogonalization of localized orbitals",
journal = j-IJQC,
volume = "27",
number = "5",
pages = "527--546",
month = may,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270503",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Murthy:1985:CFM,
author = "A. S. N. Murthy and Shoba Ranganathan",
title = "Compliant fields for molecular interactions: {Water}
dimer and formic acid dimer",
journal = j-IJQC,
volume = "27",
number = "5",
pages = "547--557",
month = may,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270504",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Laszlo:1985:OPD,
author = "I. L{\'a}szl{\'o}",
title = "One-Parameter double-zeta atomic functions for the
{Hartree--Fock} energies of helium isoelectronic
sequence",
journal = j-IJQC,
volume = "27",
number = "5",
pages = "559--565",
month = may,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270505",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Les:1985:TST,
author = "A. Le{\'s} and I. Ortega-Blake",
title = "A theoretical study of tautomerism: 2- and
4-oxopyrimidine and some of their derivatives",
journal = j-IJQC,
volume = "27",
number = "5",
pages = "567--583",
month = may,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270506",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Becke:1985:LEC,
author = "A. D. Becke",
title = "Local exchange-correlation approximations and
first-row molecular dissociation energies",
journal = j-IJQC,
volume = "27",
number = "5",
pages = "585--594",
month = may,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270507",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{March:1985:RTE,
author = "N. H. March",
title = "Relativistic total energy of heavy atomic ions:
{Dimensionality} dependent scaling",
journal = j-IJQC,
volume = "27",
number = "5",
pages = "595--599",
month = may,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270508",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Laaksonen:1985:TDF,
author = "Leif Laaksonen and Dage Sundholm and Pekka
Pyykk{\"o}",
title = "Two-dimensional, fully numerical molecular
calculations. {IV}. {Hartree--Fock--Slater} results on
second-row diatomic molecules",
journal = j-IJQC,
volume = "27",
number = "5",
pages = "601--612",
month = may,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270509",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Golebiewski:1985:NCB,
author = "A. Go{\l}{\k{e}}biewski and E. Broclawik",
title = "New concepts in bonded functions theory. {I}.
Alternative way of matrix elements evaluation",
journal = j-IJQC,
volume = "27",
number = "5",
pages = "613--623",
month = may,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270510",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ventura:1985:CBH,
author = "Oscar N. Ventura and J. Paolo Bartolucci and Ram{\'o}n
M. Sosa",
title = "{He$^{2+}_2$}: a comparison between {Hartree--Fock}
and density functional techniques",
journal = j-IJQC,
volume = "27",
number = "5",
pages = "625--635",
month = may,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270511",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Aagren:1985:BRB,
author = "Hans {\AA}gren",
title = "Book Review: {{\booktitle{Quantum chemistry: The
development of ab initio methods in molecular
electronic structure theory}}. By Henry F. Schaeffer,
Clarendon press, Oxford, England, 1984}",
journal = j-IJQC,
volume = "27",
number = "5",
pages = "637--637",
month = may,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270512",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1985:Me,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "27",
number = "5",
pages = "fmi--fmii",
month = may,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270501",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Preiskorn:1985:MEM,
author = "Aleksandra Preiskorn and Bronislaw {\.Z}urawski",
title = "Many-Electron, multicenter integrals in superposition
of correlated configurations method. {I}. One- and
two-electron integrals",
journal = j-IJQC,
volume = "27",
number = "6",
pages = "641--651",
month = jun,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270602",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mestechkin:1985:NMO,
author = "M. M. Mestechkin",
title = "Numerical method for the open-shell restricted
{Hartree--Fock} density-matrix direct calculation",
journal = j-IJQC,
volume = "27",
number = "6",
pages = "653--664",
month = jun,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270603",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jankowski:1985:ECE,
author = "K. Jankowski and P. Malinowski and A. Soko{\l}owski
and I. Lindgren and A.-M. M{\aa}rtensson-Pendrill",
title = "Electron correlation effects in the 4 f$^{14}$ shell",
journal = j-IJQC,
volume = "27",
number = "6",
pages = "665--675",
month = jun,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270604",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fraczak:1985:SRA,
author = "Marek Fraczak",
title = "Statistical representation of atomic systems
structure. {II}. classification of the representation;
entropy dependence of the total energy for
isoelectronic series",
journal = j-IJQC,
volume = "27",
number = "6",
pages = "677--689",
month = jun,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270605",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Slanina:1985:LBP,
author = "Zden{\v{e}}k Slanina",
title = "Limiting behavior of partition functions of models
with quadratically dependent energy spectra and
consequences regarding theoretical study of chemical
reactivity",
journal = j-IJQC,
volume = "27",
number = "6",
pages = "691--697",
month = jun,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270606",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Karadakov:1985:EPT,
author = "Peter Karadakov",
title = "An extension of the pairing theorem",
journal = j-IJQC,
volume = "27",
number = "6",
pages = "699--707",
month = jun,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270607",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Grudzinski:1985:RCG,
author = "Hubert Grudzi{\'n}ski",
title = "{$N$}-representability conditions generated by a
one-particle {Grassmann} factor of an antisymmetric
function",
journal = j-IJQC,
volume = "27",
number = "6",
pages = "709--730",
month = jun,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270608",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chen:1985:CDP,
author = "Min-Bo Chen and Robert G. Parr",
title = "A constant-denominator perturbation theory using
circulant orbitals",
journal = j-IJQC,
volume = "27",
number = "6",
pages = "731--741",
month = jun,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270609",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Almlof:1985:MPP,
author = "Jan Alml{\"o}f and Peter R. Taylor",
title = "Molecular properties from perturbation theory: {A
Unified} treatment of energy derivatives",
journal = j-IJQC,
volume = "27",
number = "6",
pages = "743--768",
month = jun,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270610",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Weiner:1985:AGP,
author = "Brian Weiner and Henry A. Kurtz",
title = "The antisymmetrized geminal power approximation to the
excitation propagator",
journal = j-IJQC,
volume = "27",
number = "6",
pages = "769--780",
month = jun,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270611",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Heidrich:1985:ICH,
author = "D. Heidrich and H.-J. K{\"o}hler and D. Volkmann",
title = "Ab initio calculations on {H} transfer in the {HF}
trimer",
journal = j-IJQC,
volume = "27",
number = "6",
pages = "781--786",
month = jun,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270612",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gould:1985:UGA,
author = "M. D. Gould and G. S. Chandler",
title = "Unitary group approach to the many-electron problem.
{I}, {II}, {III}",
journal = j-IJQC,
volume = "27",
number = "6",
pages = "787--801",
month = jun,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270613",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Brown:1985:GNM,
author = "Robert G. Brown and Mikael Ciftan",
title = "A generalized non-muffin-tin theory of band
structure",
journal = j-IJQC,
volume = "27",
number = "6",
pages = "803--804",
month = jun,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270614",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See erratum \cite{Brown:1985:EGN}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1985:Mf,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "27",
number = "6",
pages = "fmi--fmii",
month = jun,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560270601",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Grossman:1985:COM,
author = "Stuart C. Grossman",
title = "Chemical ordering of molecules: a graph theoretical
approach to structure-property studies",
journal = j-IJQC,
volume = "28",
number = "1",
pages = "1--16",
month = jul,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280102",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zasukha:1985:TME,
author = "V. A. Zasukha and S. V. Volkov",
title = "Theory and mechanism of electron transfer in a
condensed medium at high temperatures with allowance
for change in vibrational frequencies",
journal = j-IJQC,
volume = "28",
number = "1",
pages = "17--26",
month = jul,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280103",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Karwowski:1985:GSE,
author = "J. Karwowski and J. Styszy{\'n}ski",
title = "Ground-state energies of closed-shell atoms",
journal = j-IJQC,
volume = "28",
number = "1",
pages = "27--37",
month = jul,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280104",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hariharan:1985:IMS,
author = "P. C. Hariharan and Joyce J. Kaufman and Alfred H.
Lowrey and Richard S. Miller",
title = "Ab initio {MODPOT} \slash {VRDDO} \slash {MERGE}
calculations on energetic compounds. {IV}.
{Nitrocubanes}: {Mononitro} to octanitro quantum
chemical calculations and electrostatic molecular
potential contour maps",
journal = j-IJQC,
volume = "28",
number = "1",
pages = "39--59",
month = jul,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280105",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Weiner:1985:CPA,
author = "Brian Weiner",
title = "Consistent propagator approximations",
journal = j-IJQC,
volume = "28",
number = "1",
pages = "61--84",
month = jul,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280106",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kinoshita:1985:VCM,
author = "Dina L. Kinoshita and Luiz G. Ferreira and Manoel L.
{De Siqueira}",
title = "Variational cellular method for polyatomic molecules:
{SF$_6$}",
journal = j-IJQC,
volume = "28",
number = "1",
pages = "85--101",
month = jul,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280107",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kaldor:1985:CNM,
author = "Uzi Kaldor",
title = "Can nondegenerate many-body perturbation theory {Be}
applied to quasidegenerate electronic states?",
journal = j-IJQC,
volume = "28",
number = "1",
pages = "103--108",
month = jul,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280108",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Brickmann:1985:MSN,
author = "J{\"u}rgen Brickmann and Paul Hofmann and Peter C.
Schmidt",
title = "Measures of stochasticity for nonstationary initial
preparations of coupled oscillators",
journal = j-IJQC,
volume = "28",
number = "1",
pages = "109--134",
month = jul,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280109",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cisneros:1985:PDR,
author = "Arturo Cisneros and Harold V. McIntosh",
title = "A proposed definition of resonant states",
journal = j-IJQC,
volume = "28",
number = "1",
pages = "135--159",
month = jul,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280110",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1985:Mg,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "28",
number = "1",
pages = "fmi--fmii",
month = jul,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280101",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Heaton:1985:IQM,
author = "M. M. Heaton and D. Mills",
title = "Ab initio quantum-mechanical calculations on
trifluoromethylamine",
journal = j-IJQC,
volume = "28",
number = "2",
pages = "163--180",
month = aug,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280202",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Katriel:1985:GDI,
author = "J. Katriel and J. Paldus and R. Pauncz",
title = "Generalized {Dirac} identities and explicit relations
between the permutational symmetry and the spin
operators for systems of identical particles",
journal = j-IJQC,
volume = "28",
number = "2",
pages = "181--202",
month = aug,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280203",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Igawa:1985:MSP,
author = "Akira Igawa",
title = "An {MC-SCF} procedure using an orthogonal
transformation represented by a direct sum of
two-by-two rotations",
journal = j-IJQC,
volume = "28",
number = "2",
pages = "203--211",
month = aug,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280204",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kibler:1985:ELP,
author = "Maurice Kibler and Genevi{\`e}ve Grenet",
title = "Energy levels of paramagnetic ions: {Algebra}. {III}.
{The} case of {d$^N$} ions in cubical symmetry",
journal = j-IJQC,
volume = "28",
number = "2",
pages = "213--232",
month = aug,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280205",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pilarski:1985:RBEa,
author = "Bogus{\l}aw Pilarski and Krzysztof O{\'s}mia{\l}owski
and Roman Kaliszan",
title = "The relationship between electron densities and the
electronic substituent constants for substituted
pyridines",
journal = j-IJQC,
volume = "28",
number = "2",
pages = "233--237",
month = aug,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280206",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pilarski:1985:RBEb,
author = "Bogus{\l}aw Pilarski and Krzysztof
O{\'s}Mia{\l}owski",
title = "The relationship between electron densities and the p
{K$_a$} values in a series of methylpyrazines",
journal = j-IJQC,
volume = "28",
number = "2",
pages = "239--244",
month = aug,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280207",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Huber:1985:EVR,
author = "Daniel Huber",
title = "Energies of vibrating and rotating molecules by ladder
operators",
journal = j-IJQC,
volume = "28",
number = "2",
pages = "245--267",
month = aug,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280208",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{VanGroenendael:1985:UALb,
author = "Augustin {Van Groenendael} and Jacques Tillieu",
title = "Usage de l'alg{\`e}gbre de {Lie} ${\rm su}(n)$ dans
l'{\'e}tude des syst{\`e}mes quantiques {\`a} $n$
{\'e}tats. {V}. {Application} aux syst{\`e}mes
compos{\'e}s. ({French}) [{Use} of {Lie} algebra {${\rm
su}(n)$} in the study of quantum systems of $n$ states.
{V}. {Application} to composite systems]",
journal = j-IJQC,
volume = "28",
number = "2",
pages = "269--286",
month = aug,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280209",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
language = "French",
onlinedate = "19 Oct 2004",
}
@Article{Schmelzer:1985:GAE,
author = "A. Schmelzer and J. N. Murrell",
title = "The general analytic expression for
{S$_4$}-symmetry-invariant potential functions of
tetra-atomic homonuclear molecules",
journal = j-IJQC,
volume = "28",
number = "2",
pages = "287--295",
month = aug,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280210",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jeziorek:1985:TIH,
author = "Danuta Jeziorek and Bronis{\l}aw {\.Z}urawski",
title = "Theoretical investigation of the {Na$^+$} + {H$_2$}
system. {I}. {Ab} initio calculations including
electron correlations of potential energy
hypersurface",
journal = j-IJQC,
volume = "28",
number = "2",
pages = "297--309",
month = aug,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280211",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gadre:1985:MAI,
author = "Shridhar R. Gadre and Rajeev D. Bendale",
title = "Maximization of atomic information-entropy sum in
configuration and momentum spaces",
journal = j-IJQC,
volume = "28",
number = "2",
pages = "311--314",
month = aug,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280212",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1985:Mh,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "28",
number = "2",
pages = "fmi--fmii",
month = aug,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280201",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ghose:1985:MOS,
author = "Arup K. Ghose and Gordon M. Crippen",
title = "Molecular orbital study of the ring nitrogen basicity
of various dihydrofolate reductase inhibitors",
journal = j-IJQC,
volume = "28",
number = "3",
pages = "315--334",
month = sep,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280302",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Born:1985:CEP,
author = "Gregory Born",
title = "Correlated electron propagator theory and applications
for open-shell atoms and molecules",
journal = j-IJQC,
volume = "28",
number = "3",
pages = "335--348",
month = sep,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280303",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ishida:1985:MIA,
author = "Kazuhiro Ishida",
title = "Molecular integrals arising in the use of the
{Hiller--Sucher--Feinberg--Harriman} identity for
describing the {Fermi}-contact interaction",
journal = j-IJQC,
volume = "28",
number = "3",
pages = "349--373",
month = sep,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280304",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Piecuch:1985:SST,
author = "Piotr Piecuch",
title = "Supplement to spherical tensor theory of long-range
interactions between two molecules",
journal = j-IJQC,
volume = "28",
number = "3",
pages = "375--386",
month = sep,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280305",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mezey:1985:CTG,
author = "Paul G. Mezey",
title = "A comparison of two group theoretical models of
reaction mechanisms on potential surfaces",
journal = j-IJQC,
volume = "28",
number = "3",
pages = "387--398",
month = sep,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280306",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sarai:1985:TSI,
author = "Akinori Sarai and Minoru Saito",
title = "Theoretical studies on the interaction of proteins
with base pairs. {II}. {Effect} of external {H}-bond
interactions on the stability of guanine--cytosine and
{non-Watson--Crick} pairs",
journal = j-IJQC,
volume = "28",
number = "3",
pages = "399--409",
month = sep,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280307",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jasien:1985:FDC,
author = "Paul G. Jasien and Clifford E. Dykstra",
title = "First derivatives of correlated wave functions by a
matrix-oriented method: {Preliminary} application to
molecular dipole and quadrupole moments",
journal = j-IJQC,
volume = "28",
number = "3",
pages = "411--417",
month = sep,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280308",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mayer:1985:BOV,
author = "I. Mayer",
title = "Bond order and valence: {Relations} to {Mulliken}'s
population analysis",
journal = j-IJQC,
volume = "28",
number = "3",
pages = "419--419",
month = sep,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280309",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1985:Mi,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "28",
number = "3",
pages = "fmi--fmii",
month = sep,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280301",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:47 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gomez-Jeria:1985:QCS,
author = "J. S. Gomez-Jeria and D. Morales-Lagos and J. I.
Rodriguez-Gatica and J. C. Saavedra-Aguilar",
title = "Quantum-chemical study of the relation between
electronic structure and {pA$_2$} in a series of
5-substituted tryptamines",
journal = j-IJQC,
volume = "28",
number = "4",
pages = "421--428",
month = oct,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280402",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Regier:1985:GVS,
author = "Philip E. Regier and Jacob Fisher and B. S. Sharma and
Ajit J. Thakkar",
title = "{Gaussian} vs. {Slater} representations of $d$
orbitals: {An} information theoretic appraisal based on
both position and momentum space properties",
journal = j-IJQC,
volume = "28",
number = "4",
pages = "429--449",
month = oct,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280403",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Kulkarni:1985:EHI,
author = "Anil D. Kulkarni and S. A. Alexander and F. A.
Matsen",
title = "Effect of {Hubbard} interaction on solitonic
excitations in polyacetylene",
journal = j-IJQC,
volume = "28",
number = "4",
pages = "451--457",
month = oct,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280404",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Takahashi:1985:BLA,
author = "M. Takahashi and J. Paldus",
title = "Bond length alternation in cyclic polyenes. {VI}.
{Coupled} cluster approach with {Wannier} orbital
basis",
journal = j-IJQC,
volume = "28",
number = "4",
pages = "459--479",
month = oct,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280405",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Balasubramanian:1985:SPS,
author = "K. Balasubramanian and M. Rand{\'\i}c",
title = "Spectral polynomials of systems with general
interactions",
journal = j-IJQC,
volume = "28",
number = "4",
pages = "481--498",
month = oct,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280406",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Gianturco:1985:CTR,
author = "F. A. Gianturco and A. Palma and V. T. Lamanna and G.
Petrella",
title = "Collisional transfer of rovibrational energy from
quantum calculations. {II}. {The} case of {LiH} with
{He}",
journal = j-IJQC,
volume = "28",
number = "4",
pages = "499--516",
month = oct,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280407",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Lesyng:1985:ICB,
author = "Bogdan Lesyng and Christian Marck and Wilhelm
Guschlbauer",
title = "Ab initio calculations on the barrier to
pseudorotation of model $2^\prime$-deoxyfuranose and
$2^\prime$-deoxy-$2^\prime$-fluorofuranose rings",
journal = j-IJQC,
volume = "28",
number = "4",
pages = "517--523",
month = oct,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280408",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Wilson:1985:ANM,
author = "S. Wilson and K. Jankowski and J. Paldus",
title = "Applicability of nondegenerate many-body perturbation
theory to quasi-degenerate electronic states. {II}. {A}
two-state model",
journal = j-IJQC,
volume = "28",
number = "4",
pages = "525--534",
month = oct,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280409",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Thole:1985:LSN,
author = "B. T. Thole",
title = "Least-squares numerical {Rayleigh--Ritz} and
minimum-variance methods for molecular calculations",
journal = j-IJQC,
volume = "28",
number = "4",
pages = "535--551",
month = oct,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280410",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Anonymous:1985:Mj,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "28",
number = "4",
pages = "fmi--fmi",
month = oct,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280401",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Staemmler:1985:ASP,
author = "V. Staemmler and F. A. Gianturco",
title = "Adiabatic {SCF} potential energy curves relevant to
proton--oxygen molecular collisions",
journal = j-IJQC,
volume = "28",
number = "5",
pages = "553--564",
month = nov,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280502",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Banerjee:1985:IAA,
author = "Manas Banerjee and Sankar Prasad Bhattacharyya",
title = "The {INDO\slash 2-AHP} (average hole potential) method
for excited states: {Comparison} with the simple
{INDO\slash 2-HP} (hole potential) method",
journal = j-IJQC,
volume = "28",
number = "5",
pages = "565--571",
month = nov,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280503",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Yi:1985:ESF,
author = "Xiao Yi and Chen Run-Sheng",
title = "Effect of some factors on the energy band structure of
proteins",
journal = j-IJQC,
volume = "28",
number = "5",
pages = "573--579",
month = nov,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280504",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hashimoto:1985:LDO,
author = "Katsufumi Hashimoto",
title = "Length dependence of the optical transition energies
of the exactly solvable {Hubbard} model for linear
polyenes",
journal = j-IJQC,
volume = "28",
number = "5",
pages = "581--591",
month = nov,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280505",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Vojtik:1985:SAD,
author = "Jan Vojt{\'\i}k",
title = "Symmetry aspects of diatomics-in-molecules {(DIM)}
calculations: {Construction} of spin-adapted bases",
journal = j-IJQC,
volume = "28",
number = "5",
pages = "593--601",
month = nov,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280506",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fernandez:1985:PCH,
author = "Francisco M. Fern{\'a}ndez and Eduardo A. Castro",
title = "Perturbation calculation on the hydrogen atom in
electric and magnetic fields",
journal = j-IJQC,
volume = "28",
number = "5",
pages = "603--607",
month = nov,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280507",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Wormer:1985:MEB,
author = "Paul E. S. Wormer",
title = "Matrix elements between spin-bonded functions in a
hole-particle formalism",
journal = j-IJQC,
volume = "28",
number = "5",
pages = "609--630",
month = nov,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280508",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Murphy:1985:OIA,
author = "William C. Murphy and Thomas F. George",
title = "Overlap integrals for atom--metal surface
interactions",
journal = j-IJQC,
volume = "28",
number = "5",
pages = "631--639",
month = nov,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280509",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Yang:1985:ROT,
author = "Cao Yang",
title = "The role of $d$ orbitals in tetrahedral hybrid
orbitals of oxy-ions",
journal = j-IJQC,
volume = "28",
number = "5",
pages = "641--648",
month = nov,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280510",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Glass:1985:TAE,
author = "R. Glass",
title = "Theoretical approach to the evaluation of spin-only
magnetic form factors for many-electron atomic
systems",
journal = j-IJQC,
volume = "28",
number = "5",
pages = "649--660",
month = nov,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280511",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{FerreiraDaSilva:1985:EHM,
author = "A. {Ferreira Da Silva} and M. Fabbri",
title = "Erratum: {The hydrogen molecule for a two-dimensional
system}",
journal = j-IJQC,
volume = "28",
number = "5",
pages = "661--661",
month = nov,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280512",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{FerreiraDaSilva:1985:HMT}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1985:Aa,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "28",
number = "5",
pages = "663--663",
month = nov,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280513",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1985:Mk,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "28",
number = "5",
pages = "fmi--fmii",
month = nov,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280501",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cizek:1985:IPP,
author = "J. Cizek and E. R. Vrscay",
title = "Inner projection with and without perturbation theory:
{The} anharmonic oscillator revisited and the quadratic
{Zeeman} effect in ground-state hydrogen",
journal = j-IJQC,
volume = "28",
number = "6",
pages = "665--686",
month = dec,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280602",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sordo:1985:QTH,
author = "J. A. Sordo and L. Pueyo",
title = "A quality test for the {Hartree--Fock--Roothaan SCF}
wave functions",
journal = j-IJQC,
volume = "28",
number = "6",
pages = "687--690",
month = dec,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280603",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Muller-Remmers:1985:OCDa,
author = "Peter L. M{\"u}ller-Remmers and Karl Jug",
title = "Orbital correlation diagrams based on
multiconfigurational variation of moments {I}.
{Theory}",
journal = j-IJQC,
volume = "28",
number = "6",
pages = "691--701",
month = dec,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280604",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Muller-Remmers:1985:OCDb,
author = "Peter L. M{\"u}ller-Remmers and Karl Jug",
title = "Orbital correlation diagrams based on
multiconfigurational variation of moments {II}.
{Application}",
journal = j-IJQC,
volume = "28",
number = "6",
pages = "703--713",
month = dec,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280605",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hilal:1985:EST,
author = "Rifaat Hilal",
title = "On the electronic structure of transition-metal
complexes {II}. {Bonding} characteristics in titanium
chloride systems",
journal = j-IJQC,
volume = "28",
number = "6",
pages = "715--721",
month = dec,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280606",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jaiswal:1985:EIO,
author = "P. S. Jaiswal and S. Lahiry",
title = "On the evaluation of the integral $<p_u | \partial /
\partial v|s>$ occurring in covalency reduction
factor",
journal = j-IJQC,
volume = "28",
number = "6",
pages = "723--729",
month = dec,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280607",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Abu-Eittah:1985:MOT,
author = "Rafie H. Abu-Eittah and Maher M. Hamed and Abdullah
Nigm and Adel El-Azhary",
title = "Molecular-orbital treatment of some heterocycles with
three hetero-atoms and their benzo-derivatives",
journal = j-IJQC,
volume = "28",
number = "6",
pages = "731--740",
month = dec,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280608",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Karwowski:1985:QM,
author = "J. Karwowski and J. Kobus",
title = "Quasirelativistic methods",
journal = j-IJQC,
volume = "28",
number = "6",
pages = "741--756",
month = dec,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280609",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gresh:1985:CLI,
author = "N. Gresh and A. Pullman and P. Claverie",
title = "Cation--ligand interactions: {Reproduction} of
extended basis set {Ab} initio {SCF} computations by
the {SIBFA} 2 additive procedure",
journal = j-IJQC,
volume = "28",
number = "6",
pages = "757--771",
month = dec,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280610",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rawlings:1985:TIE,
author = "Diane C. Rawlings and Martin Gouterman and Ernest R.
Davidson and David Feller",
title = "Theoretical investigations of the electronic states of
porphyrins. {III}. {Low}-lying electronic states of
{porphinatoiron(II)}",
journal = j-IJQC,
volume = "28",
number = "6",
pages = "773--796",
month = dec,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280611",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1985:Ml,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "28",
number = "6",
pages = "fmi--fmii",
month = dec,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280601",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Urry:1985:EPS,
author = "Dan W. Urry and Tina L. Trapane and C. M.
Venkatachalam and Kari U. Prasad",
title = "Energy profiles for sodium ion passage through the
single-filing gramicidin transmembrane channel",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "1--13",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280703",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Venkatachalam:1985:CDM,
author = "C. M. Venkatachalam and D. W. Urry",
title = "Calculation of dipole moment changes due to peptide
librations in the dynamic $\beta$-spiral of the
polypentapeptide of elastin",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "15--24",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280704",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Burke:1985:MPT,
author = "L. A. Burke",
title = "A model potential technique for the calculation of the
band structure of poly(glycine)",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "25--31",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280705",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Yoon:1985:IWS,
author = "Chang No Yoon and Mu Shik Jhon",
title = "Intermediate water structures in solution of alanine
dipeptide",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "33--47",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280706",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Gresh:1985:TSS,
author = "Nohad Gresh and Bernard Pullman",
title = "A theoretical study of the selective entrapment of
alkali and ammonium cations between guanine tetramers",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "49--56",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280707",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Fischer-Hjalmars:1985:MBI,
author = "I. Fischer-Hjalmars and H. Holmgren and A.
Henriksson-Enflo",
title = "Metals in biology: {Iron} complexes modeling electron
transfer",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "57--67",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280708",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Venanzi:1985:MRA,
author = "Carol A. Venanzi and Jeffrey D. Bunce",
title = "Molecular recognition by artificial enzymes: {Cyclic}
urea mimetics of alpha chymotrypsin",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "69--87",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280709",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Seiders:1985:QMI,
author = "Barbara A. Seiders and Alan A. Brimfield and Kenneth
Hunter and Michael C. Zerner and George D. {Purvism
III} and W. Daniel Edwards",
title = "A quantum mechanical investigation into the fine
specificity of the antibodies to soman, {BE2}, and
{CC1}",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "89--98",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280710",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Luke:1985:TIF,
author = "Brian T. Luke and Gilda H. Loew",
title = "A theoretical investigation of the first step in the
metabolic reduction of halogenated methanes by
cytochrome {P-450}",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "99--112",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280711",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Mezey:1985:GTE,
author = "Paul G. Mezey",
title = "Group theory of electrostatic potentials: a tool for
quantum chemical drug design",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "113--122",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280712",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Grossman:1985:GTA,
author = "Stuart C. Grossman and Borka Jerman-Bla{\v{z}}i{\'c}
D{\v{z}}onova and Milan Randi{\'c}",
title = "A graph theoretical approach to quantitative
structure-activity relationship",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "123--139",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280713",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Cabrol:1985:QCS,
author = "D. Cabrol and H. Broch and D. Vasilescu",
title = "Quantum conformational studies of model molecules in
relation to collagenic structures: {Effect} of nature
and location of aliphatic residues in
(gly-{R$_2$}pro)$_n$ and (gly-pro-{R$_3$})$_n$
sequences",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "141--152",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280714",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Sundaralingam:1985:TDS,
author = "M. Sundaralingam and S. T. Rao and W. Drendel and M.
L. Greaser",
title = "The three-dimensional structure of {troponin-C}:
{Supersecondary} structural homology of calcium binding
folds",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "153--160",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280715",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Klasinc:1985:APS,
author = "L. Klasinc and B. Ru{\v{s}}{\v{c}}i{\'c} and N. S.
Bhacca and S. P. Mcglynn",
title = "Application of photoelectron spectroscopy to
biologically active molecules and their constituent
parts {XI}: {Steroids}",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "161--167",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280716",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Srivastava:1985:QCM,
author = "Sudha Srivastava and Ratna S. Phadke and Anil Saran
and Gerjesh Govil",
title = "Quantum chemical and magnetic resonance studies on
interaction of $\alpha$-tocopherol with phospholipids",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "169--181",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280717",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Gupta:1985:DSS,
author = "Goutam Gupta and Mukti H. Sarma and Ramaswamy H.
Sarma",
title = "Determination of the solution structure of nucleic
acid double helices using {NOE} difference {NMR}
spectroscopy, chemical shift calculations, and computer
modeling",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "183--199",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280718",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Yoneda:1985:CUS,
author = "Shigetaka Yoneda",
title = "A calculation by using semiempirical potentials of a
complex of nucleotides and the cognate amino acid: {A}
numerical approach to the amino acid recognition by
{tRNA} for the ten typical cases",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "201--208",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280719",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Jaworski:1985:WII,
author = "Andrzej Jaworski and J{\'o}zef S. Kwiatkowski and
Bogdan Lesyng",
title = "Why isoguanine and isocytosine are not the components
of the genetic code",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "209--216",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280720",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Srinivasan:1985:MMM,
author = "S. Srinivasan and G. Raghunathan and M. Shibata and R.
Rein",
title = "Multistep modeling {(MSM)} of biomolecular structure
application to the {A-G} mispair in the {B-DNA}
environment",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "217--227",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280721",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Majumdar:1985:ESP,
author = "Rabi Majumdar and Ashoke R. Thakur",
title = "Effect of structural perturbations on helix--coil
transitions in covalently closed supercoiled {DNA}",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "229--234",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280722",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "9 Jul 2009",
}
@Article{Ladikm:1985:PCS,
author = "J. J. Ladikm and M. Seel",
title = "Perturbation of cell-selfregulation through
oncoproteins",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "235--244",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280723",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Gascoyne:1985:RMC,
author = "Peter Gascoyne",
title = "The redox-mediated control of enzyme function and
cellular structure",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "245--255",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280724",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Szent-Gyorgyi:1985:MC,
author = "Albert Szent-Gyorgyi",
title = "Metabolism and cancer",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "257--261",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280725",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Reynolds:1985:ICR,
author = "C. A. Reynolds and C. Thomson",
title = "Ab initio calculations relevant to the mechanism of
chemical carcinogenesis {II}: {The} nitrous acidium ion
a powerful nitrosating agent",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "263--279",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280726",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Shimizu:1985:MEM,
author = "Mikio Shimizu",
title = "Molecular electric mechanism for discrimination of
amino acid by cognate {tRNA}",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "281--286",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280727",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Anonymous:1985:Ab,
author = "Anonymous",
title = "Abstract",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "287--288",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280728",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lowdin:1985:Ia,
author = "P. O. L{\"o}wdin and N. Y. {\"O}hrn and J. R. Sabin
and M. C. Zerner",
title = "Introduction",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "v--v",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280702",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Anonymous:1985:Mm,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "28",
number = "S12",
pages = "fmi--fmi",
day = "14--16",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280701",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:05 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lowdin:1985:Ib,
author = "P. O. L{\"o}wdin and N. Y. {\"O}hrn and J. R. Sabin
and M. C. Zerner",
title = "Introduction",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "1--2",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280802",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Anonymous:1985:LPP,
author = "Anonymous",
title = "List of participants: {Part II}",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "5--14",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280803",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Andersson:1985:IR,
author = "Johnny Andersson",
title = "Introductory remarks",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "15--17",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280804",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lowdin:1985:TFY,
author = "Per-Olov L{\"o}wdin",
title = "Twenty-five years of {Sanibel Symposia}: {A} brief
historic and scientific survey",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "19--37",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280805",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Ohrn:1985:ABP,
author = "Yngve {\"O}hrn",
title = "The {AGP}-based polarization propagator",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "39--50",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280806",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Goscinski:1985:LBS,
author = "Osvaldo Goscinski",
title = "Are localized broken symmetry solutions acceptable in
molecular calculations?",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "51--59",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280807",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Farazdel:1985:VMV,
author = "Abbas Farazdel and William M. Westgate and Alfredo M.
Simas and Robin P. Sagar and Vedene H. {Smith, Jr.}",
title = "Validity of the mass-velocity term in the
{Breit--Pauli Hamiltonian}",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "61--68",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280808",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Murty:1985:AMA,
author = "J. S. Murty and R. S. Nikam and C. R. Sarma",
title = "Angular momentum adaptation of spinor basis",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "69--77",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280809",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Zeng:1985:POS,
author = "Zong-Hao Zeng and Chia-Chung Sun",
title = "The projection operators of {${\rm SU}(2)$} and the
{Sanibel} coefficients",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "79--92",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280810",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Mezey:1985:RPG,
author = "Paul. G. Mezey",
title = "The reaction polyhedron and group theory of reaction
mechanisms",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "93--105",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280811",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Randic:1985:FCP,
author = "M. Randi{\'c} and B. Baker and A. F. Kleiner",
title = "Factoring the characteristic polynomial",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "107--127",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280812",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Krivka:1985:CCP,
author = "P. K{\v{r}}ivka and {\v{Z}}. Jeri{\v{c}}evi{\'c} and
N. Trinajsti{\'c}",
title = "On the computation of characteristic polynomial of a
chemical graph",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "129--147",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280813",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Guseinov:1985:EME,
author = "I. I. Guseinov",
title = "Evaluation of multicenter electron-repulsion integrals
over {Slater}-type orbitals",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "149--155",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280814",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Jones:1985:CGF,
author = "Herbert W. Jones",
title = "Computer-generated formulas for exchange integrals
over {Slater}-type orbitals",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "157--163",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280815",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Manne:1985:MES,
author = "Rolf Manne and Michael C. Zerner",
title = "Matrix elements of spin-dependent one-electron
operators between bonded functions",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "165--172",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280816",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Hunter:1985:EOE,
author = "Geoffrey Hunter and Chin Chiu Tai",
title = "An exact one-electron model of the helium atom ground
state",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "173--180",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280817",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Weniger:1985:SAN,
author = "E. J. Weniger and J. Grotendorst and E. O.
Steinborn",
title = "Some applications of nonlinear convergence
accelerators",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "181--191",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280818",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Cisneros:1985:TMS,
author = "Gerardo Cisneros and Carlos F. Bunge",
title = "Towards a modular system in computational quantum
chemistry",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "193--199",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280819",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Winkler:1985:UMB,
author = "Peter Winkler",
title = "A unified many-body theory of dielectronic
recombination and autoionization",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "201--216",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280820",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Adamowicz:1985:DCC,
author = "Ludwik Adamowicz and Rodney J. Bartlett",
title = "Direct coupled cluster calculations on excited
states",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "217--220",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280821",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kaufman:1985:MDC,
author = "Joyce J. Kaufman and P. C. Hariharan and C.
Chabalowski and Matti Hotokka",
title = "Multireference determinant {CI} calculations and
{CASSCF} calculations on the {CH$_3$\bond{}NO$_2$}
decomposition pathway of nitromethane",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "221--235",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280822",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Aagren:1985:DRS,
author = "H. {\AA}gren and N. Correia and A. Flores-Riveros and
H. J. Aa. Jensen",
title = "Direct restricted-step {MCSCF} calculations on the
structure and spectrum of cyclobutadiene",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "237--246",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280823",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Darvesh:1985:CSM,
author = "K. V. Darvesh and F. Grein",
title = "Configuration selection in the {MCSCF} method. {I}.
{Application} to the {B\,$^1\Sigma^+$} state of {HF}",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "247--256",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280824",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kemister:1985:IPM,
author = "G. Kemister and N. H. March",
title = "Ionization potentials of molecular systems with many
electrons",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "257--265",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280825",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Aerts:1985:UGB,
author = "P. J. C. Aerts and W. C. Nieuwpoort",
title = "On the use of {Gaussian} basis sets to solve the
{Hartree--Fock-Dirac} equation. {II}. {Application} to
many-electron atomic and molecular systems",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "267--277",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280826",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Gaspar:1985:BSS,
author = "R. G{\'a}sp{\'a}r and R. {G{\'a}sp{\'a}r, Jr.}",
title = "Basis set study in pseudopotential method",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "279--284",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280827",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Ishikawa:1985:GBD,
author = "Yasuyuki Ishikawa and Reinaldo Baretty and Robert C.
{Binning, Jr.}",
title = "{Gaussian} basis for the {Dirac-Fock} discrete basis
expansion calculations",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "285--295",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280828",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Mathers:1985:CBS,
author = "T. L. Mathers and N. R. Kestner",
title = "Correlation and basis set superposition effects on
three body ion-water-water interactions",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "297--311",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280829",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Delhalle:1985:EGL,
author = "J. Delhalle and V. P. Bodart and M. Dory and J. M.
Andr{\'e} and J. Zyss",
title = "Equilibrium geometry and longitudinal electric
polarizability of allene, diallene, and iriallene: {An}
ab initio study",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "313--321",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280830",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Dagata:1985:TNI,
author = "J. A. Dagata and S. P. McGlynn",
title = "Treatment of nonadiabatic interactions in polyatomic
molecules by the frame transformation method:
{Application} to the methyl iodide spectrum",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "323--332",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280831",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Adams:1985:HAH,
author = "William H. Adams and Meredith M. Clayton",
title = "The hydrogen atom in the hydrogen molecule",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "333--348",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280832",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Garcia-Sucre:1985:IEA,
author = "M. Garc{\'\i}a-Sucre and R. Medina and I. Reif and G.
J. Mata",
title = "Ionization energies of atomic systems obtained from
nuclear and electronic charge scalings",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "349--361",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280833",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Donnelly:1985:SOC,
author = "Robert A. Donnelly",
title = "Second-order calculation on the doublet pi {CO} shape
resonance",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "363--368",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280834",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Chatzidimitriou-Dreismann:1985:TSD,
author = "C. A. Chatzidimitriou-Dreismann",
title = "On time superoperator and dynamical fluctuations in
photoemission",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "369--382",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280835",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Nesbet:1985:ILE,
author = "R. K. Nesbet",
title = "The influence of localized excitations on
spin-selective electron scattering and {Auger} emission
in transition metals",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "383--391",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280836",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Ondrechen:1985:MSB,
author = "Mary Jo Ondrechen and Jaeju Ko and Li-Tai Zhang",
title = "Models for the spectra of bridged mixed-valence
dimers",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "393--401",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280837",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kumar:1985:PLO,
author = "D. Kumar and L. Klasinc and P. L. Clancy and S. P.
McGlynn",
title = "Pulsed laser optogalvanic spectroscopy of xenon in
{RF} discharge",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "403--410",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280838",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Green:1985:QME,
author = "A. E. S. Green and J. M. Schwartz and S. T. Suh",
title = "Quantum mechanical engineering of short range
potentials",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "411--419",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280839",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kolos:1985:QCC,
author = "W. Ko{\l}os and B. Jeziorski and H. J. Monkhorst and
K. Szalewicz",
title = "Quantum chemical contribution to electron neutrino
mass determination",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "421--441",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280840",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Micha:1985:CTC,
author = "David A. Micha",
title = "Collisional time-correlation functions for molecular
interactions",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "443--455",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280841",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Brandas:1985:IPQ,
author = "Erkki Br{\"a}ndas and Erik Engdahl and Magnus Rittby
and Nils Elander",
title = "On the inverse problem in quantum scattering theory",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "457--466",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280842",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Linderberg:1985:BCC,
author = "Jan Linderberg",
title = "Basis for coupled channel approach to reactive
scattering",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "467--476",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280843",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Battaglia:1985:OTE,
author = "Franco Battaglia and K. C. Liu and Thomas F. George",
title = "One- and two-electron transfer processes in
ion-surface scattering",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "477--489",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280844",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Sham:1985:DFB,
author = "L. J. Sham",
title = "Density functionals beyond the local density
approximation",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "491--495",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280845",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Perdew:1985:DFT,
author = "John P. Perdew",
title = "Density functional theory and the band gap problem",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "497--523",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280846",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Cohen:1985:CES,
author = "L. Cohen and C. Frishberg and Chongmoon Lee and L. J.
Massa",
title = "Correlation energy for a {Slater} determinant fitted
to the electron density",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "525--533",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280847",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Cohen:1985:SCS,
author = "Leon Cohen and Chongmoon Lee",
title = "A study of the {Colle--Salvetti} functional for
$\rho_2$ via an exactly soluble problem",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "535--545",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280848",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Herman:1985:ESS,
author = "Frank Herman",
title = "Electronic structure of semiconductor interfaces",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "547--557",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280849",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Csavinszky:1985:TAB,
author = "P. Csavinszky",
title = "Total atomic binding energy via the density functional
theory",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "559--565",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280850",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Berggren:1985:FSB,
author = "K.-F. Berggren and B. L. Widlund",
title = "Formation of sub-bands and the {$3$D} to {$2$D}
transition of electrons in a {GaAs MESFET}",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "567--578",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280851",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Faulkner:1985:ESD,
author = "J. S. Faulkner",
title = "Electronic states in disordered solids. {III}.
{Applications} to materials science",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "579--593",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280852",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Fink:1985:SIS,
author = "William H. Fink",
title = "Symmetry implications for the selection of cluster
sizes for semiconductor surfaces",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "595--602",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280853",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Brener:1985:ESS,
author = "N. E. Brener and J. Callaway and P. Blaha",
title = "Electronic structure of small sodium clusters",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "603--612",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280854",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Curtiss:1985:TSI,
author = "L. A. Curtiss and J. A. Pople",
title = "Theoretical studies of the interaction of {H$_2$O}
with small clusters of beryllium atoms",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "613--628",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280855",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Zunger:1985:TSO,
author = "Alex Zunger",
title = "Ternary semiconductors and ordered pseudobinary
alloys: {Electronic} structure and predictions of new
materials",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "629--653",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280856",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Calais:1985:OSA,
author = "Jean-Louis Calais",
title = "Orthonormalization and symmetry adaptation of crystal
orbitals",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "655--667",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280857",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Jones:1985:AOP,
author = "R. S. Jones and S. B. Trickey",
title = "Avoiding orthogonality problems in the application of
the alternant molecular orbital method to solids",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "669--673",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280858",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Etters:1985:VRF,
author = "R. D. Etters and B. Silvi and V. Chandrasekharan and
M. Chergui",
title = "Vibrational and rotational frequency shifts of dilute
{H$_2$}, {D$_2$}, and {HD} impurities in solid {Ar},
{Kr}, and {Xe} under pressure",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "675--686",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280859",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lucas:1985:EEL,
author = "A. A. Lucas and J. P. Vigneron and P. H. Lambin and P.
A. Thiry and M. Liehr and J. J. Pireaux and R. Caudano",
title = "Electron energy loss spectroscopy of surface and
interface phonons of insulators, semiconductors, and
superlattices",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "687--705",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280860",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Klein:1985:OHR,
author = "D. J. Klein and T. G. Schmalz and W. A. Seitz and G.
E. Hite",
title = "Overview of {H{\"u}ckel}- and resonance-theoretic
approaches to $\pi$-network polymers",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "707--718",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280861",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{March:1985:ECE,
author = "N. H. March",
title = "Electron correlation and electron momenta in
polyacetylene",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "719--727",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280862",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Karo:1985:GRV,
author = "A. M. Karo and J. R. Hiskes",
title = "Generation and relaxation of vibrationally-excited
{H$_2$} molecules by wall collisions",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "729--729",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280863",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lohr:1985:PCE,
author = "Lawrence L. Lohr",
title = "The protonic counterpart of electronegativity",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "731--732",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280864",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Sabin:1985:TLE,
author = "John R. Sabin and J. Oddershede",
title = "Theoretical low energy proton stopping powers:
{Effects} of sample phase",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "733--734",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280865",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Diercksen:1985:SST,
author = "G. H. F. Diercksen and N. E. Gr{\"u}ner and John R.
Sabin and Jens Oddershede",
title = "structures and spectra of triatomic silicon-carbon
compounds",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "735--736",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280866",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Muller:1985:EFS,
author = "Wolfgang M{\"u}ller and Paul S. Bagus",
title = "Electric field and surface charge effects on the
vibrational frequency of {CO} chemisorbed on metal
surfaces: {Cluster} model studies for {CO\slash
Cu(100)}",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "737--738",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280867",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Datseff:1985:NSE,
author = "A. B. Datseff",
title = "On the nonlinear {Schr{\"o}dinger} equation",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "739--740",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280868",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Nagel:1985:BBA,
author = "Bengt Nagel",
title = "Breakdown of the {Born} approximation in
{Aharonov--Bohm} scattering",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "741--741",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280869",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Levy:1985:PEU,
author = "Mel Levy and John P. Perdew",
title = "Properties of the exact universal density and
one-matrix functionals",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "743--744",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280870",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Mintmire:1985:TPS,
author = "J. W. Mintmire and F. W. Kutzler and C. T. White",
title = "Theoretical photoelectron spectra using local-density
function results",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "745--745",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280871",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Jorg:1985:ALX,
author = "H. J{\"o}rg and N. R{\"o}sch",
title = "Application of the {LCGTO--X$\alpha$} method to
chemisorption studies: {The} cluster {Ni$_2$ CO}",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "747--747",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280872",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Khait:1985:NKM,
author = "Yury L. Khait",
title = "A new kinetic many-body theory of rate processes in
and on solids and its applications",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "749--750",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280873",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Brown:1985:EGN,
author = "Robert G. Brown and Mikael Ciftan",
title = "Erratum: {A} generalized non-muffin-tin theory of band
structure",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "751--752",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280874",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Brown:1985:GNM}. Supplement: Proceedings of
the International Symposium on Quantum Biology and
Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Anonymous:1985:Mn,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "28",
number = "S19",
pages = "fmi--fmi",
day = "18--23",
month = mar,
year = "1985",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560280801",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 15:51:07 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Ugalde:1986:RBE,
author = "J. M. Ugalde and Russell J. Boyd",
title = "On the relationship between the electron-pair
distribution function and the correlation energy of an
atom",
journal = j-IJQC,
volume = "29",
number = "1",
pages = "1--9",
month = jan,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290102",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kibler:1986:ELPa,
author = "Maurice Kibler and Genevi{\`e}ve Grenet",
title = "Energy levels of paramagnetic ions: {Algebra}. {IV}.
{The} case of {f$^N$} ions in cubical symmetry",
journal = j-IJQC,
volume = "29",
number = "1",
pages = "11--22",
month = jan,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290103",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sapse:1986:GAA,
author = "A. M. Sapse and Duli C. Jain",
title = "Guanine and adenine-amino acids interactions: {An} ab
initio study",
journal = j-IJQC,
volume = "29",
number = "1",
pages = "23--29",
month = jan,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290104",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mayer:1986:SCP,
author = "I. Mayer",
title = "Simple constructive proof of {Karadakov}'s extended
pairing theorem",
journal = j-IJQC,
volume = "29",
number = "1",
pages = "31--34",
month = jan,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290105",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bigelow:1986:CCR,
author = "Richard W. Bigelow",
title = "Correlation contributions to the radical cation states
of linear even polyenes: {An} open-shell
{RHF-CNDO\slash S(CI)} analysis of the optical and
photoelectron spectra",
journal = j-IJQC,
volume = "29",
number = "1",
pages = "35--60",
month = jan,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290106",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Heaton:1986:DRC,
author = "M. M. Heaton and M. R. El-Talbi",
title = "The difluoroethylenes: a reconsideration of the
{``Cis} effect''",
journal = j-IJQC,
volume = "29",
number = "1",
pages = "61--72",
month = jan,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290107",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mayer:1986:BOVa,
author = "I. Mayer",
title = "On bond orders and valences in the {Ab} initio quantum
chemical theory",
journal = j-IJQC,
volume = "29",
number = "1",
pages = "73--84",
month = jan,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290108",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mezey:1986:NGC,
author = "Paul G. Mezey",
title = "New global constraints on electronic energy
hypersurfaces",
journal = j-IJQC,
volume = "29",
number = "1",
pages = "85--99",
month = jan,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290109",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gresh:1986:IIE,
author = "N. Gresh and P. Claverie and A. Pullman",
title = "Intermolecular interactions: {Elaboration} on an
additive procedure including an explicit
charge-transfer contribution",
journal = j-IJQC,
volume = "29",
number = "1",
pages = "101--118",
month = jan,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290110",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rettrup:1986:DES,
author = "Sten Rettrup",
title = "Direct evaluation of spin representation matrices and
ordering of permutation-group elements",
journal = j-IJQC,
volume = "29",
number = "1",
pages = "119--128",
month = jan,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290111",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Avery:1986:QMM,
author = "John Avery and Peter Sommer Larsen and Shen Hengyi",
title = "The quantum mechanical many-body problem in
hyperspherical coordinates. {Analysis} of systems with
{Coulomb} interactions in terms of many-dimensional
hydrogen-like wave functions",
journal = j-IJQC,
volume = "29",
number = "1",
pages = "129--147",
month = jan,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290112",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Petkov:1986:MLS,
author = "Ivan Zh. Petkov and Mario V. Stoitsov and Eugene S.
Kryachko",
title = "Method of local-scaling transformations and
density-functional theory in quantum chemistry",
journal = j-IJQC,
volume = "29",
number = "1",
pages = "149--161",
month = jan,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290113",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kobeissi:1986:DVR,
author = "H. Kobeissi",
title = "On the diatomic vibration--rotation eigenvalue
problem",
journal = j-IJQC,
volume = "29",
number = "1",
pages = "163--164",
month = jan,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290114",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Nath:1986:SBA,
author = "S. Nath and K. Shobha and K. D. Sen",
title = "A simple bound to average electronic density and
energy for atoms within an isoelectronic series",
journal = j-IJQC,
volume = "29",
number = "1",
pages = "165--167",
month = jan,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290115",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Calais:1986:BRBa,
author = "Jean-Louis Calais",
title = "Book Review: {{\booktitle{Recent advances in group
theory and their application to spectroscopy}}. By John
C. Donini, ed., NATO Advanced Study Institute series,
vol. B43. Plenum Press, New York, 1979, pp. xii +
692}",
journal = j-IJQC,
volume = "29",
number = "1",
pages = "169--169",
month = jan,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290116",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Donini:1979:RAG}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Katriel:1986:GDI,
author = "J. Katriel and J. Paldus and R. Pauncz",
title = "Generalized {Dirac} identities and explicit relations
between the permutational symmetry and the spin
operators for systems of identical particles",
journal = j-IJQC,
volume = "29",
number = "1",
pages = "171--171",
month = jan,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290117",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1986:Ma,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "29",
number = "1",
pages = "fmi--fmii",
month = jan,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290101",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:48 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jones:1986:CGF,
author = "Herbert W. Jones",
title = "Computer-generated formulas for four-center integrals
over {Slater}-type orbitals",
journal = j-IJQC,
volume = "29",
number = "2",
pages = "177--183",
month = feb,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290206",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dressler:1986:CTE,
author = "K. Dressler and L. Wolniewicz and P. Quadrelli",
title = "Comparison of theory and experiment for excited
singlet states of the {H$_2$} molecule",
journal = j-IJQC,
volume = "29",
number = "2",
pages = "185--189",
month = feb,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290207",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Millen:1986:GFG,
author = "D. J. Millen",
title = "General features of geometries and potential constants
of hydrogen bonded dimers",
journal = j-IJQC,
volume = "29",
number = "2",
pages = "191--196",
month = feb,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290208",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hunter:1986:EOE,
author = "Geoffrey Hunter",
title = "The exact one-electron model of molecular structure",
journal = j-IJQC,
volume = "29",
number = "2",
pages = "197--204",
month = feb,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290209",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Roy:1986:UCC,
author = "S. Roy and S. Sengupta and D. Mukherjee and P. K.
Mukherjee",
title = "Use of coupled-cluster based linear response theory
and multireference {Hermitian} {MBPT} to {IP}
calculations of {HF}",
journal = j-IJQC,
volume = "29",
number = "2",
pages = "205--210",
month = feb,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290210",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Morales:1986:HTL,
author = "J. Morales and A. Palma and L. Sandoval",
title = "Hypervirial theorem and ladder operators. {Recurrence}
relations for harmonic oscillator integrals",
journal = j-IJQC,
volume = "29",
number = "2",
pages = "211--219",
month = feb,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290211",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Demiralp:1986:NAA,
author = "Metin Demiralp",
title = "A new algebraic approach to the eigenvalue problems of
linear differential operators without integrations",
journal = j-IJQC,
volume = "29",
number = "2",
pages = "221--227",
month = feb,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290212",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kiang:1986:GEC,
author = "Yuan-Sun Kiang and Au-Chin Tang",
title = "A graphical evaluation of characteristic polynomials
of {H{\"u}ckel} trees",
journal = j-IJQC,
volume = "29",
number = "2",
pages = "229--240",
month = feb,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290213",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
xxnote = "Check authors??",
}
@Article{Radzio:1986:LLC,
author = "E. Radzio and D. R. Salahub",
title = "{LCGTO}-{LSD} calculations for {CH$_2$}",
journal = j-IJQC,
volume = "29",
number = "2",
pages = "241--247",
month = feb,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290214",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cohen:1986:HER,
author = "Leon Cohen",
title = "Hierarchy equations for reduced density matrices in
different representations",
journal = j-IJQC,
volume = "29",
number = "2",
pages = "249--260",
month = feb,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290215",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Silverstone:1986:RCA,
author = "Harris J. Silverstone",
title = "Reality and complexity in asymptotic expansions for
eigenvalues and eigenfunctions, with application to the
{JWKB} connection-formula problem",
journal = j-IJQC,
volume = "29",
number = "2",
pages = "261--272",
month = feb,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290216",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zeng:1986:ITO,
author = "Zonghao Zeng and Chia-Chung Sun",
title = "On the irreducible tensor operators and the unitarily
invariant decomposition of {Hermitian} operators",
journal = j-IJQC,
volume = "29",
number = "2",
pages = "273--283",
month = feb,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290217",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Latajka:1986:EPT,
author = "Zdzis{\l}aw Latajka and Steve Scheiner",
title = "Energetics of proton transfer between carbon atoms
{(H$_3$CHCH$_3$)$^-$}",
journal = j-IJQC,
volume = "29",
number = "2",
pages = "285--292",
month = feb,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290218",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1986:A,
author = "Per-Olov L{\"o}wdin",
title = "Announcement",
journal = j-IJQC,
volume = "29",
number = "2",
pages = "vii--viii",
month = feb,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290203",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1986:EC,
author = "Anonymous",
title = "Editorial Comments",
journal = j-IJQC,
volume = "29",
number = "2",
pages = "ix--ix",
month = feb,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290204",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1986:LPa,
author = "Anonymous",
title = "List of {Participants}",
journal = j-IJQC,
volume = "29",
number = "2",
pages = "xi--xl",
month = feb,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290205",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1986:Mb,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "29",
number = "2",
pages = "fmi--fmii",
month = feb,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290201",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sandorfy:1986:P,
author = "C. Sandorfy and W. Siebrand and V. H. {Smith, Jr.} and
J. Cizek and J. Paldus and D. Salahub",
title = "Preface",
journal = j-IJQC,
volume = "29",
number = "2",
pages = "v--v",
month = feb,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290202",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Qianer:1986:DCS,
author = "Zhang Qianer and Li Xiangzhu",
title = "Double coset for symmetry orbitals",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "293--303",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290302",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fliszar:1986:CDC,
author = "S. Flisz{\'a}r",
title = "Charge distributions and chemical effects. {XLII}.
{Atomic} charges and their role in energy
calculations",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "305--310",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290303",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Farazdel:1986:IUM,
author = "Abbas Farazdel and Vedene H. {Smith, Jr.}",
title = "Invalidity of the ubiquitous mass-velocity operator in
quasirelativistic theories",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "311--314",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290304",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Smith:1986:HFH,
author = "J. L. Smith and A. Michael Boring and P. Weinberger",
title = "Heavy fermions and heavy atoms",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "315--321",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290305",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sharma:1986:WDK,
author = "B. S. Sharma and Ajit J. Thakkar",
title = "What do kinetic-energy anisotropies tell us about
chemical bonding? {I}. {Diatomic} hydrides",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "323--332",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290306",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mezey:1986:NCM,
author = "Paul G. Mezey",
title = "Nuclear charges and molecular total energies: a rule
on nested reaction globes",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "333--343",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290307",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hess:1986:CCP,
author = "B. Andes {Hess, Jr.} and L. J. Schaad and D. N.
Reinhoudt",
title = "[2 + 2] {Cycloadditions}. {A} concerted pathway for
acetylene plus ethylene",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "345--350",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290308",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Shinagawa:1986:MEC,
author = "Y. Shinagawa and Yasuko Shinagawa",
title = "The minimal energy conformations of o-benzosemiquinone
anion radicals in the solvents containing the alkali
metals and the alkali earth metals",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "351--360",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290309",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Shinagawa:1986:CBR,
author = "Yasuko Shinagawa and Y. Shinagawa",
title = "The conformation of o-benzosemiquinone radical and its
assignment of the proton hyperfine coupling constants
by using the {INDO} and the molecular geometry
adjusting methods",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "361--371",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290310",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bonaccorsi:1986:CCC,
author = "Rosanna Bonaccorsi and Roberto Cammi and Jacopo
Tomasi",
title = "Counterpoise corrections to the components of
bimolecular energy interactions: {An} examination of
three methods of decomposition",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "373--378",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290311",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tuszynski:1986:CDH,
author = "J. A. Tuszy{\'n}ski",
title = "Comments on the {Davydov Hamiltonian} for
quasi-one-dimensional molecular chains",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "379--391",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290312",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pan:1986:SPS,
author = "Y. K. Pan and M. Xin and D. Li and Lue-Yung Chow
Chiu",
title = "Study of photoelectron spectra of some {XPY$_3$}
molecules {(X $=$ O, S and Y $=$ Cl, Br)} by the
{SCF-X$_\alpha$}--{SW} method",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "393--397",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290313",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Theodorakopoulos:1986:MCT,
author = "G. Theodorakopoulos and I. D. Petsalakis and C. A.
Nicolaides",
title = "A method for the calculation of transition moments
between electronic states of molecules using a
different one-electron basis set for each state",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "399--406",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290314",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cohen:1986:CHP,
author = "Leon Cohen and Chongmoon Lee",
title = "Correlation hole and physical properties: a model
calculation",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "407--424",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290315",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Haque:1986:OSC,
author = "Azizul Haque and Uzi Kaldor",
title = "Open-Shell coupled-cluster method: {Variational} and
nonvariational calculation of ionization potentials",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "425--433",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290316",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Buenker:1986:CPT,
author = "Robert J. Buenker",
title = "Combining perturbation theory techniques with
variational {CI} calculations to study molecular
excited states",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "435--460",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290317",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Vrbik:1986:OSW,
author = "Jan Vrbik and Stuart M. Rothstein",
title = "Optimal spacing and weights in diffusion {Monte
Carlo}",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "461--468",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290318",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Suhai:1986:ENF,
author = "S. Suhai",
title = "On the excitonic nature of the first {UV} absorption
peak in polyene",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "469--476",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290319",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mayer:1986:BOVb,
author = "I. Mayer",
title = "Bond orders and valences from ab initio wave
functions",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "477--483",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290320",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kibler:1986:ELPb,
author = "Maurice Kibler and Genevi{\`e}ve Grenet",
title = "Energy levels of paramagnetic ions: {Algebra}. {V}.
{Weak}-field models",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "485--495",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290321",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Avery:1986:OPL,
author = "John Avery and S{\o}ren Hvidt",
title = "Optical properties of large molecules and clusters in
the {Frenkel} exciton picture",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "497--510",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290322",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Burke:1986:SDA,
author = "Luke A. Burke",
title = "Synchronism in the {Diels-Alder} reaction",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "511--518",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290323",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Yadav:1986:APT,
author = "J. S. Yadav and J. D. Goddard",
title = "Acetaldehyde photochemistry: {Testing} the additivity
assumption and polarized basis set effects",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "519--526",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290324",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cammi:1986:NOL,
author = "Roberto Cammi and Caterina Ghio and Jacopo Tomasi",
title = "Neutral organic {Lewis} acids of $\pi$ type",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "527--539",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290325",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Barone:1986:CBA,
author = "Vincenzo Barone and Francesco Lelj and Nino Russo",
title = "Conformational behavior of azabiphenyls",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "541--551",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290326",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Smeyers:1986:CQM,
author = "Yves G. Smeyers and A. Hern{\'a}ndez-Laguna",
title = "Classical and quantum mechanical calculations of
conformational probability density distributions.
{Two}-rotor molecules",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "553--562",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290327",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Laskowski:1986:ICP,
author = "Bernard C. Laskowski and Richard L. Jaffe and Andrew
Komornicki",
title = "Ab initio calculations of phenylene ring motions in
polyphenylene oxide",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "563--578",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290328",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1986:Mc,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "29",
number = "3",
pages = "fmi--fmii",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290301",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tang:1986:SRP,
author = "Au-Chin Tang and Qian-Shu Li",
title = "A structural rule of polyhedral boranes and
heteroboranes",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "579--587",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290402",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Reynolds:1986:QCQ,
author = "P. J. Reynolds and R. N. Barnett and B. L. Hammond and
R. M. Grimes and W. A. {Lester, Jr.}",
title = "Quantum chemistry by quantum {Monte Carlo}: {Beyond}
ground-state energy calculations",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "589--596",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290403",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ladik:1986:QMT,
author = "J. Ladik and P. Otto and A. K. Bakhshi and M. Seel",
title = "Quantum mechanical treatment of biopolymers as solids:
{Possible} implications for carcinogenesis",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "597--617",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290404",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Marchese:1986:TMM,
author = "Francis T. Marchese and David L. Beveridge",
title = "Thermal motion from {Monte Carlo} simulations of
aqueous ionic solutions",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "619--625",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290405",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fulscher:1986:ANE,
author = "M. P. F{\"u}lscher and E. L. Mehler",
title = "Analysis of nonadditivity effects and estimation of
many-body effects in linear water chains",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "627--638",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290406",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Birge:1986:STD,
author = "Robert R. Birge and Brian M. Pierce",
title = "Semiclassical time-dependent theory of two-photon
spectroscopy. {The} effect of dephasing in the virtual
level on the two-photon excitation spectrum of
isotachysterol",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "639--656",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290407",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cvitas:1986:HRP,
author = "T. Cvita{\v{s}} and L. Klasinc and B. Kova{\v{c}}",
title = "High-resolution photoelectron spectrum of ozone",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "657--661",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290408",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zahradnik:1986:WII,
author = "Rudolf Zahradn{\'\i}k and Pavel Hobza",
title = "Weak intermolecular interactions: {Statics} and
dynamics",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "663--676",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290409",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ohno:1986:BSD,
author = "Koichi Ohno and Toshimasa Ishida",
title = "Basis-Set dependence of exterior electron
distributions of molecular orbitals",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "677--688",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290410",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Matsumoto:1986:ICQ,
author = "Shiro Matsumoto and Kimiko Mizutani and Atsushi
Sekiguchi and Takakazu Yano and Masayuki Toyama",
title = "Ab initio calculations on the quenching of excited
lithium atom by molecular hydrogen. {I}",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "689--699",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290411",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chunwan:1986:BPM,
author = "Liu Chunwan and Hua Jianmin and Chen Zhida and Lin
Zhenyang and Lu Jiaxi",
title = "The bonding properties of {Mo Fe} $s$ clusters",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "701--715",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290412",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bonaccorsi:1986:SDD,
author = "R. Bonaccorsi and E. Scrocco and J. Tomasi",
title = "Structural deformations of the {DNA} double helix in
the first stages of {DNA} transcription studied with a
simple model",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "717--735",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290413",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hess:1986:TVT,
author = "Bernd A. Hess and Robert J. Buenker and Praphull
Chandra",
title = "Toward the variational treatment of spin-orbit and
other relativistic effects for heavy atoms and
molecules",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "737--753",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290414",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Karna:1986:SSD,
author = "S. P. Karna and F. Grein",
title = "Semidiffuse states of diatomic molecules:
{Configuration} interaction studies of the lowest
{$^2\Sigma^+$} and {$^2\Delta$} states of {NS}, {SiF},
and {CCl}",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "755--766",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290415",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See erratum \cite{Karna:1986:ESS}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dunlap:1986:LXC,
author = "Brett I. Dunlap and Michael Cook",
title = "{LCAO-X$\alpha$} calculations of rotational energy
barriers---prototypes of chemical reactions",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "767--777",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290416",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Daul:1986:CLF,
author = "C. Daul and A. Goursot",
title = "The calculation of ligand-field multiplet states from
multiple-scattering {X$\alpha$} wave functions",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "779--792",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290417",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kutzler:1986:SDP,
author = "F. W. Kutzler and C. T. White and J. W. Mintmire",
title = "Soliton defects in polyacetylene: {Local}-density
functional results",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "793--797",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290418",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Harsanyi:1986:IVS,
author = "L. Hars{\'a}nyi and P. Cs{\'a}sz{\'a}r and A.
Cs{\'a}sz{\'a}r and J. E. Boggs",
title = "Interpretation of the vibrational spectra of
matrix-isolated uracil from scaled ab initio quantum
mechanical force fields",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "799--815",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290419",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Scheiner:1986:FIP,
author = "Steve Scheiner and Paul Redfern and Eric A.
Hillenbrand",
title = "Factors influencing proton positions in biomolecules",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "817--827",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290420",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Selmani:1986:CAL,
author = "A. Selmani and J. Andzelm and D. R. Salahub",
title = "Chemisorption of {O} and {O$_2$} on {Ag(110)}: {An
LCGTO--LSD} cluster study",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "829--842",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290421",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cohen:1986:PNM,
author = "Marvin L. Cohen",
title = "Prediction of new materials and properties of solids",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "843--854",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290422",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Wojcik:1986:TII,
author = "Marek J. W{\'o}jcik",
title = "Theoretical interpretation of infrared spectra of the
{Cl H} stretching vibration in the gaseous
{(Ch$_3$)$_2$O\dottedbond{}HCl} complex",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "855--865",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290423",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Thomas:1986:MGV,
author = "Gerald F. Thomas",
title = "On the minimization of the global variance in the
1-{Reduced} local-energy matrix",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "867--873",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290424",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Diarmid:1986:LVS,
author = "Ruth Mc Diarmid",
title = "The lower valence states of linear polyenes:
{Locations} and identifications",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "875--881",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290425",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Luke:1986:TES,
author = "Brian T. Luke and Gilda H. Loew and A. D. McLean",
title = "A theoretical examination of substituent effects on
the detoxification reaction between glutathione and
halogenated methanes",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "883--896",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290426",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Goscinski:1986:ACS,
author = "Osvaldo Goscinski and Vladimiro Mujica",
title = "Adiabatic coordinate separation and large
{$N$}-dimensional limit in two-electron ions",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "897--908",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290427",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Schwarz:1986:CUDa,
author = "W. H. E. Schwarz and L. Mensching and P. Valtaznos and
W. {Von Niessen}",
title = "A chemically useful definition of electron difference
densities",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "909--914",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290428",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Durand:1986:CVC,
author = "Ph. Durand",
title = "Core--Valence correlations and relativistic effects in
heavy atoms for molecular applications",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "915--935",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290429",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Vela:1986:IID,
author = "Alberto Vela and Andr{\'e}s Cedillo and Jos{\'e} L.
G{\'a}zquez",
title = "Interatomic interactions in density functional
theory",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "937--948",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290430",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pucci:1986:GZE,
author = "R. Pucci and N. H. March",
title = "Generalized {1\slash Z} expansion for heteronuclear
molecules",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "949--958",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290431",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Edgecombe:1986:BCP,
author = "K. E. Edgecombe and R. J. Boyd",
title = "Bond critical points in the electronic structures of
binary hydrides",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "959--973",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290432",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Shim:1986:ESC,
author = "Irene Shim and H. M. Nagarathna-Naik and Karl A.
Gingerich",
title = "Electronic structure calculations for the molecules
{Si$_2$} and {Ge$_2$} using all electron ab initio
{HF--CI} methods",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "975--991",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290433",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Katrib:1986:MBR,
author = "A. Katrib and B. D. El-Issa and R. Ghodsian",
title = "Multiple bonds and re(4 f) binding energies of some
rhenium halides",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "993--999",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290434",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sosa:1986:ICBa,
author = "Carlos Sosa and H. Bernhard Schlegel",
title = "Ab initio calculations on the barrier height for the
hydrogen addition to ethylene and formaldehyde. {The}
importance of spin projection",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "1001--1015",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290435",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Xu:1986:ESC,
author = "Guang-Xian Xu and K. H. Hsu and Jingqing Ren",
title = "Electronic structure and chemical bonding of the dimer
of bis($\eta^5$-cyclopentadienyl)ytterbium methyl",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "1017--1024",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290436",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Baykara:1986:HCD,
author = "N. A. Baykara and J. Andzelm and D. R. Salahub and S.
Z. Baykara",
title = "Hydrogen chemisorption on, and diffusion through,
palladium clusters",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "1025--1032",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290437",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1986:Md,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "29",
number = "4",
pages = "fmi--fmii",
month = apr,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290401",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:49 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tennyson:1986:CSH,
author = "Jonathan Tennyson and C. J. Noble and P. G. Burke",
title = "Continuum states of the hydrogen molecule with the
{R-Matrix} method",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1033--1042",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290502",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gaspar:1986:CRS,
author = "R. G{\'a}sp{\'a}r",
title = "Chairman'{S} remarks, session on systems containing
heavy atoms: {Paradoxes} and problems of large-molecule
and heavy-molecule calculations",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1043--1045",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290503",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Barandiaran:1986:SPT,
author = "Z. Barandiaran and L. Seijo and S. Huzinaga and M.
Klobukowski",
title = "Structure and properties of transition-metal
compounds. {A} systematic study of basis set effects in
ab initio {SCF} calculations",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1047--1058",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290504",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Broer:1986:HFC,
author = "R. Broer and G. Aissing and W. C. Nieuwpoort and L. F.
Feiner",
title = "{Hartree--Fock} cluster study of interstitial
transition metals in silicon",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1059--1066",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290505",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Last:1986:AFP,
author = "I. Last and M. Baer",
title = "Analytical fitting of potential energy surfaces for
the {H$xy$} systems",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1067--1076",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290506",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fournier:1986:EHC,
author = "R. Fournier and D. R. Salahub",
title = "Effect of hydrogen chemisorption on the magnetism of
nickel clusters",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1077--1089",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290507",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Andzelm:1986:CCP,
author = "J. Andzelm and D. R. Salahub",
title = "Chemisorption of {CO} on {Pd(100)}: {An} lcgto-lsd
cluster study",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1091--1104",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290508",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kuntz:1986:FIA,
author = "P. J. Kuntz",
title = "The formation of {Na$^+$} and {Na} ions from
{Na*($^2$P)} atoms near a tungsten surface. {II}.
{Extended} diatomics-in-molecules models",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1105--1116",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290509",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tossell:1986:SUO,
author = "J. A. Tossell and J. H. Moore and J. K. Olthoff",
title = "Studies of unoccupied orbitals of {BF$_3$} and
{BCL$_3$} by electron transmission spectroscopy and
multiple scattering {X$\alpha$} calculations",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1117--1126",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290510",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Michalska:1986:ECE,
author = "D. Michalska and B. Hess and {Andes, Jr.} and L. J.
Schaad",
title = "The effect of correlation energy ({MP2}) on computed
vibrational frequencies",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1127--1137",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290511",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hirschfelder:1986:LMR,
author = "Joseph O. Hirschfelder",
title = "Laser and magnetic resonance propagators",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1139--1146",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290512",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pan:1986:SNA,
author = "Dao-Kai Pan and Jian-Nan Gao and Hai-Lun Lin and
Ming-Bao Huang and W. H. Eugen Schwarz",
title = "Some new aspects of bonding in cyclopropane",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1147--1154",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290513",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rico:1986:APT,
author = "Jaime Fern{\'a}andez Rico and Rafael L{\'o}apez and
Miguel Paniagua and Jose Ignacio Fern{\'a}andez-Alonso",
title = "Atomic partitioning of two-center potentials for
{Slater} basis",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1155--1164",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290514",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kertesz:1986:ESH,
author = "Miklos Kertesz",
title = "Electronic structure of highly doped conducting
polymers",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1165--1176",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290515",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rao:1986:CME,
author = "Gita Subba Rao and R. S. Tyagi and R. K. Mishra",
title = "Calculation of the minimum energy conformation of
biomolecules by using a global optimization technique.
{V}. {Preferred} conformations of the
thyrotropin-releasing hormone",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1177--1180",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290516",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Poulain:1986:STS,
author = "E. Poulain and J. Garcia-Prieto and M. E. Ruiz and O.
Novaro",
title = "Some theoretical studies on hydrogen molecule capture
by platinum atoms",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1181--1190",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290517",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Brenstein:1986:BSD,
author = "Robert J. Brenstein and Steve Scheiner",
title = "The basis set dependence of structures and energies of
various states of cyclodisiloxane",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1191--1208",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290518",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kirtman:1986:ALS,
author = "Bernard Kirtman and Celso P. Demelo",
title = "Accurate local-space treatment of hydrogen bonding in
large systems",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1209--1222",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290519",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hurst:1986:IFV,
author = "G. J. B. Hurst and P. W. Fowler and A. J. Stone and A.
D. Buckingham",
title = "Intermolecular forces in {van der Waals} dimers",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1223--1239",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290520",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sapse:1986:ISI,
author = "A. M. Sapse and L. M. Fugler and D. Cowburn",
title = "An ab initio study of intermolecular hydrogen bonding
between small peptide fragments",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1241--1251",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290521",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Aida:1986:IMO,
author = "Misako Aida and Chikayoshi Nagata",
title = "An ab initio molecular orbital study on the stacking
interaction between nucleic acid bases: {Dependence} on
the sequence and relation to the conformation",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1253--1261",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290522",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Taylor:1986:RSPa,
author = "William J. Taylor",
title = "Rayleigh--Schr{\"o}dinger perturbation theory for
many-electron systems with partitioning of
configurations by orders of excitation. {II}.
{Analysis} of the ground state wavefunction and
energy",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1263--1275",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290523",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chermette:1986:SEP,
author = "H. Chermette and A. Goursot",
title = "Is the self energy proportional to electronic
relaxation?",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1277--1282",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290524",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Singh:1986:STI,
author = "O. P. Singh and J. S. Yadav",
title = "Similarity transformation of the ab initio density
matrix",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1283--1290",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290525",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hohlneicher:1986:TPT,
author = "Georg Hohlneicher and Michael Gutmann",
title = "Two particle transition density and two particle bond
order and their applications to electronic energy
shifts caused by two particle interactions via
geometric deformations",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1291--1302",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290526",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Huai:1986:RML,
author = "Sun Huai and Tian An-min and Yan Guo-Sen",
title = "Research in the method of large molecular calculations
utilizing transferability of {LMO}",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1303--1324",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290527",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tyutyulkov:1986:SPN,
author = "N. N. Tyutyulkov and S. C. Karabunarliev",
title = "Structure and properties of nonclassical polymers.
{III}. {Magnetic} characteristics at finite
temperatures",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1325--1337",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290528",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kumar:1986:SHE,
author = "Mukesh Kumar and A. N. Tripathi and Vedene H. {Smith,
Jr.}",
title = "Scattering of high-energy electrons and x-rays from
molecules: {The} 10-electon series {Ne}, {HF},
{H$_2$O}, {NH$_3$}, and {CH$_4$}",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1339--1349",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290529",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ruette:1986:TSH,
author = "Fernando Ruette and Eduardo V. Lude{\~n}ta and Antonio
Hern{\'a}ndez",
title = "A theoretical study of hydrogen surface coverage over
{Ni(100)}",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1351--1364",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290530",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Georgiev:1986:QTD,
author = "M. Georgiev and A. Gochev and A. Diaz-Gongora",
title = "Quantum theory of dielectric relaxation in polar
solids",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1365--1372",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290531",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gonzaalez-Lafont:1986:TSS,
author = "A. Gonz{\'a}alez-Lafont and J. M. Lluch and A. Oliva
and J. Bertr{\'a}gn",
title = "Theoretical study of several {Fe(H$_2$O)$_n^{2+}$}
clusters at different temperatures",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1373--1382",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290532",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Savatinova:1986:DSA,
author = "I. Savatinova and E. Anachkova",
title = "Dynamical and structural aspects of water in potassium
ferrocyanide trihydrate",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1383--1396",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290533",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Brion:1986:LOL,
author = "C. E. Brion",
title = "Looking at orbitals in the laboratory: {The}
experimental investigation of molecular wavefunctions
and binding energies by electron momentum
spectroscopy",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1397--1428",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290534",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Smedarchina:1986:SNE,
author = "Z. Smedarchina",
title = "Strong nonadiabatic effects in reactions of
photoisomerization",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1429--1435",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290535",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hohlneicher:1986:FSE,
author = "Georg Hohlneicher and Bernd Marquardt",
title = "Final state effects in the photoionization process",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1437--1455",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290536",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tachibana:1986:DPT,
author = "Akitomo Tachibana and Masataka Nagaoka and Tokio
Yamabe",
title = "Dynamic perturbation theory of energy transfer in
nonrigid molecular systems: {Vibrational}
predissociation of {I$_2$He} {van der Waals} molecule",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1457--1462",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290537",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Garrett:1986:TSS,
author = "Bruce C. Garrett and Donald G. Truhlar",
title = "Thermal and state-selected rate constant calculations
for {O($^3$p) $+$ H$_2$ $\rightarrow$ OH $+$ H} and
isotopic analogs",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1463--1482",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290538",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Girardeau:1986:THC,
author = "M. D. Girardeau",
title = "Theory of half-collision cross sections",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1483--1492",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290539",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Turner:1986:PDM,
author = "Ralph Eric Turner and Masayoshi Senba and Donald J.
Arseneau",
title = "On the pressure dependence of the muon spin
polarization in mixtures of noble gases",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1493--1502",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290540",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Friedman:1986:ESP,
author = "Paul Friedman and Leland C. Allen",
title = "The electronic structure of {4H}-pyran-4-one and its
sulfur analogues",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1503--1512",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290541",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Beveridge:1986:FES,
author = "D. L. Beveridge and M. Mezei and G. Ravishanker and B.
Jayaram",
title = "Free energy simulations: {Applications} to the study
of liquid water, hydrophobic interactions and solvent
effects on conformational stability",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1513--1523",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290542",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Srivastava:1986:CDT,
author = "Vipin Srivastava",
title = "The case of disordered two-dimensional electron
systems",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1525--1533",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290543",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Witko:1986:PCS,
author = "Ma{\l}gorzata Witko and Vlasta
Bona{\v{c}}i{\'c}-Kouteck{\'y}",
title = "The pseudopotential-{CI} study of the interaction
between ethylene and metal atoms, metal {Oxides}, and
their cations {(Me $=$ Be, Mg, and Zn)}",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1535--1554",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290544",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Simonetta:1986:TAS,
author = "Massimo Simonetta",
title = "The theoretical approach to surface chemistry and
heterogeneous catalysis",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1555--1560",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290545",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Schuch:1986:MIM,
author = "D. Schuch and K.-M. Chung",
title = "From macroscopic irreversibility to microscopic
reversibility via a nonlinear {Schr{\"o}dinger}-type
field equation",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1561--1573",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290546",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Waleh:1986:CES,
author = "Ahmad Waleh and Jack R. Collins and Gilda H. Loew and
M. C. Zerner",
title = "Calculated electronic spectra of model ferric
cytochrome {P450} complexes",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1575--1589",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290547",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kohda-Sudoh:1986:PAS,
author = "S. Kohda-Sudoh and S. Katagiri",
title = "The proton affinity and the structure of protonated
species of methylsilane",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1591--1598",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290548",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ouamerali:1986:EMC,
author = "Ourida Ouamerali and Jose Gayoso",
title = "{{\'E}tude} {MNDO} des compos{\'e}s conjugu{\'e}s
enneagonaux. ({French}) [{MNDO} study of $n$-ary
conjugated composites]",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1599--1624",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290549",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
language = "French",
onlinedate = "19 Oct 2004",
}
@Article{Odiot:1986:MTC,
author = "S. Odiot and M. Peyrard and J. Schnur and E. Oran",
title = "Molecular theory and cooperative mechanism of shock
waves-induced detonations in energetic molecular
crystals",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1625--1634",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290550",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cardelino:1986:ECD,
author = "B. H. Cardelino and W. H. Eberhardt and R. F.
Borkman",
title = "Electronic charge density and mean kinetic energy of
lithium orbitals in {LiH}, {LiH$^+$}, {Li$_2$},
{Li$_2^+$}, {LiH$_2^+$}, and {Li$_2$H$^+$}",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1635--1649",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290551",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1986:SAQ,
author = "Per-Olov L{\"o}wdin",
title = "On the state of the art of quantum chemistry",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1651--1683",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290552",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1986:Aa,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "1685--1685",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290553",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1986:Me,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "29",
number = "5",
pages = "fmi--fmii",
month = may,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290501",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lim:1986:DSL,
author = "T. K. Lim",
title = "Double symmetrization and the linearly independent
spin eigenfunctions",
journal = j-IJQC,
volume = "29",
number = "6",
pages = "1687--1695",
month = jun,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290602",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rabinowitz:1986:FEM,
author = "James R. Rabinowitz and Krishnan Namboodiri and Harel
Weinstein",
title = "A finite expansion method for the calculation and
interpretation of molecular electrostatic potentials",
journal = j-IJQC,
volume = "29",
number = "6",
pages = "1697--1704",
month = jun,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290603",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Smeyers:1986:OFL,
author = "Yves G. Smeyers and G. Delgado-Barrio and L.
Doreste-Su{\'a}rez and J. M. Martin-Gonz{\'a}lez",
title = "The omega function for the lithium atom",
journal = j-IJQC,
volume = "29",
number = "6",
pages = "1705--1712",
month = jun,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290604",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{TenHoor:1986:OPB,
author = "Marten J. {Ten Hoor}",
title = "On optimization procedures based upon the atomic
{Thomas--Fermi} energy",
journal = j-IJQC,
volume = "29",
number = "6",
pages = "1713--1734",
month = jun,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290605",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Avery:1986:COA,
author = "John Avery and Peter Sommer Larsen",
title = "Construction of orbital angular momentum
eigenfunctions for many-particle systems by harmonic
projection",
journal = j-IJQC,
volume = "29",
number = "6",
pages = "1735--1743",
month = jun,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290606",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Das:1986:SFS,
author = "Kalyan Kumar Das and D. Mukherjee and S. P.
Bhattacharyya",
title = "Structural features of some small carbonyls in the
$^{1,3}$n$\pi$ states: {An} {MCSCF} study",
journal = j-IJQC,
volume = "29",
number = "6",
pages = "1745--1754",
month = jun,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290607",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dovesi:1986:RSI,
author = "Roberto Dovesi",
title = "On the role of symmetry in the ab initio
{Hartree--Fock} linear-combination-of-atomic-orbitals
treatment of periodic systems",
journal = j-IJQC,
volume = "29",
number = "6",
pages = "1755--1774",
month = jun,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290608",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bhatia:1986:WLO,
author = "Rajendra Bhatia and Kalyan K. Mukherjea",
title = "On weighted {L{\"o}wdin} orthogonalization",
journal = j-IJQC,
volume = "29",
number = "6",
pages = "1775--1778",
month = jun,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290609",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Wen:1986:CSC,
author = "Zhenyi Wen",
title = "Calculation of {$S_{N1 + N2} \supset S_{N1} \otimes
s_{n2}$} and {$U(n_1 + n_2) \supset u(n_1) \otimes
u(n_2)$} subduction coefficients by using spin graph",
journal = j-IJQC,
volume = "29",
number = "6",
pages = "1779--1787",
month = jun,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290610",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pakkanen:1986:MVC,
author = "Tapani A. Pakkanen and Marina Lindblad and Risto S.
Laitinen",
title = "Molecular valence calculations based on stepwise
approximations for orthogonality and core-valence
interactions",
journal = j-IJQC,
volume = "29",
number = "6",
pages = "1789--1797",
month = jun,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290611",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gritsenko:1986:MUC,
author = "O. V. Gritsenko and A. A. Bagaturjants and V. B.
Kazansky",
title = "Model universal {Coulomb} hole function for
many-electron systems",
journal = j-IJQC,
volume = "29",
number = "6",
pages = "1799--1813",
month = jun,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290612",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zasukha:1986:TME,
author = "V. A. Zasukha and S. V. Volkov",
title = "Theory and mechanism of electron transfer at low
temperatures",
journal = j-IJQC,
volume = "29",
number = "6",
pages = "1815--1824",
month = jun,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290613",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Colle:1986:MBS,
author = "Renato Colle and Alessandro Fortunelli and Oriano
Salvetti",
title = "A mixed basis set of {Slater} and {Gaussian} functions
for molecular calculations",
journal = j-IJQC,
volume = "29",
number = "6",
pages = "1825--1837",
month = jun,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290614",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Calais:1986:BRBb,
author = "Jean-Louis Calais",
title = "Book review: {{\booktitle{Molecular Structure and
Conformation}}. Progress in Theoretical Organic
Chemistry, Vol. 3, I. G. Csizmadia (Ed.). Elsevier
Scientific Publishing Company, Amsterdam, 1982, 344
pp}",
journal = j-IJQC,
volume = "29",
number = "6",
pages = "1839--1839",
month = jun,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290615",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Csizmadia:1982:MSC}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Brandas:1986:BRBa,
author = "Erkki Brandas",
title = "Book Review: {{\booktitle{Pseudopotential Theory of
Atoms and Molecules}}. By Levente Szasz. Wiley, New
York, 1985}",
journal = j-IJQC,
volume = "29",
number = "6",
pages = "1841--1841",
month = jun,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290616",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Szasz:1985:PTA}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tapia:1986:BRB,
author = "Orlando Tapia",
title = "Book Review: {{\booktitle{Molecular Quantum
Electrodynamics: An Introduction to Radiation-Molecular
Interactions}}. By D. P. Craig and T.
Thirunamachandran. Academic Press, London, 1984}",
journal = j-IJQC,
volume = "29",
number = "6",
pages = "1843--1844",
month = jun,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290617",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Craig:1984:MQE,Craig:1998:MQE}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Seiders:1986:QMI,
author = "Barbara A. Seiders and Alan A. Brimfield and Kenneth
Hunter and Michael C. Zerner and George D. {Purvis III}
and W. Daniel Edwards",
title = "A quantum mechanical investigation into the fine
specificity of the antibodies to soman, {BE2}, and
{CC1}",
journal = j-IJQC,
volume = "29",
number = "6",
pages = "1845--1845",
month = jun,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290618",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lang:1986:A,
author = "E. A. Lang",
title = "Announcement",
journal = j-IJQC,
volume = "29",
number = "6",
pages = "1847--1847",
month = jun,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290619",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jortner:1986:A,
author = "Joshua Jortner",
title = "Announcement",
journal = j-IJQC,
volume = "29",
number = "6",
pages = "1849--1849",
month = jun,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290620",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1986:Mf,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "29",
number = "6",
pages = "fmi--fmii",
month = jun,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560290601",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:50 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Frishberg:1986:SDA,
author = "C. Frishberg",
title = "{Slater} determinant from atomic form factors",
journal = j-IJQC,
volume = "30",
number = "1",
pages = "1--5",
month = jul,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300102",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Singh:1986:CEP,
author = "Jai Singh",
title = "Composite exciton-phonon states in molecular
crystals",
journal = j-IJQC,
volume = "30",
number = "1",
pages = "7--18",
month = jul,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300103",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Singh:1986:ETE,
author = "Jai Singh and A. Thilagam",
title = "Exciton trapping by emitting two phonons at impurities
in molecular crystals",
journal = j-IJQC,
volume = "30",
number = "1",
pages = "19--25",
month = jul,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300104",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Adawi:1986:EDN,
author = "I. Adawi",
title = "Electron density near an impurity",
journal = j-IJQC,
volume = "30",
number = "1",
pages = "27--29",
month = jul,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300105",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Larsson:1986:ETC,
author = "Sven Larsson",
title = "Electron transport in condensed matter. {A} novel
approach using quantum chemical methods",
journal = j-IJQC,
volume = "30",
number = "1",
pages = "31--49",
month = jul,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300106",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Laurenzi:1986:CPI,
author = "Bernard J. Laurenzi and Madeline F. Mall",
title = "Critical phenomena in isoelectronic diatomic
sequences---the 14-electron sequence",
journal = j-IJQC,
volume = "30",
number = "1",
pages = "51--75",
month = jul,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300107",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ferraro:1986:UIP,
author = "M. B. Ferraro and M. A. Natielo and R. H. Contreras",
title = "The use of inner projections of the polarization
propagator to study different contributions to the
magnetic shielding tensor. {I}. {Proton} deshielding by
steric compression",
journal = j-IJQC,
volume = "30",
number = "1",
pages = "77--88",
month = jul,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300108",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Essean:1986:CIP,
author = "Hanno Ess{\'e}an",
title = "Correlation with independent particle orbitals",
journal = j-IJQC,
volume = "30",
number = "1",
pages = "89--95",
month = jul,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300109",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Vogler:1986:SCS,
author = "H. Vogler",
title = "Structures and {$^1$H}-chemical shifts of conjugation
deficient hydrocarbons",
journal = j-IJQC,
volume = "30",
number = "1",
pages = "97--107",
month = jul,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300110",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{dosSantos:1986:UTE,
author = "M. C. dos Santos and C. P. de Melo and H. S. Brandi",
title = "Unified treatment of the electronic structure of
organic conjugated polymers",
journal = j-IJQC,
volume = "30",
number = "1",
pages = "109--118",
month = jul,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300111",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Proinov:1986:CTA,
author = "E. Proinov and N. Neshev and A. Andreev",
title = "The concept of the topological atom within the
{MO-LCAO} approach. {I}. {On} the effective charge of
an atom-in-molecule",
journal = j-IJQC,
volume = "30",
number = "1",
pages = "119--126",
month = jul,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300112",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Greenwood:1986:ITH,
author = "H. H. Greenwood and J. S. Plant",
title = "Ab initio theory of hydrogen bonding in vitamin
{B$_6$}",
journal = j-IJQC,
volume = "30",
number = "1",
pages = "127--136",
month = jul,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300113",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ding:1986:IHB,
author = "Yanbo Ding and Xiaoyuan Fu",
title = "Investigation of the hydrogen bonds between
formaldehyde and hydrogen halides by pseudopotential
{Ab Initio} method",
journal = j-IJQC,
volume = "30",
number = "1",
pages = "137--142",
month = jul,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300114",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{VanGroenendael:1986:UAL,
author = "A. {Van Groenendael}",
title = "Usage de l'alg{\`e}gbre de {Lie} ${\rm su}(n)$ dans
l'{\'e}tude des syst{\`e}mes quantiques {\`a} $n$
{\'e}tats. {VI}. {{\'E}quations} lin{\'e}aires
d'{\'e}volution positive. ({French}) [{Use} of {Lie}
algebra {${\rm su}(n)$} in the study of quantum systems
of $n$ states. {VI}. {Positive} linear equations of
evolution]",
journal = j-IJQC,
volume = "30",
number = "1",
pages = "143--153",
month = jul,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300115",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
language = "French",
onlinedate = "19 Oct 2004",
}
@Article{Sosa:1986:ICBb,
author = "Carlos Sosa and H. Bernhard Schlegel",
title = "Ab initio calculations on the barrier height for the
hydrogen addition to ethylene and formaldehyde. {The}
importance of spin projection",
journal = j-IJQC,
volume = "30",
number = "1",
pages = "155--156",
month = jul,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300116",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1986:Mg,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "30",
number = "1",
pages = "fmi--fmii",
month = jul,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300101",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Casida:1986:GDM,
author = "Mark E. Casida and John E. Harriman",
title = "Geometry of density matrices. {VI}. {Superoperators}
and unitary invariance",
journal = j-IJQC,
volume = "30",
number = "2",
pages = "161--212",
month = aug,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300202",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sharma:1986:MSR,
author = "Krishan K. Sharma and Anil K. Aggarwal",
title = "An {MNDO} study of the reaction of methanol with
fulminic acid and acetonitrile oxide",
journal = j-IJQC,
volume = "30",
number = "2",
pages = "213--224",
month = aug,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300203",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Les:1986:TUC,
author = "Andrzej Le{\'s} and Iv{\'a}n Ortega-Blake",
title = "Tautomerism of uracil, cytosine, isocytosine, and some
of their thio-derivatives",
journal = j-IJQC,
volume = "30",
number = "2",
pages = "225--237",
month = aug,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300204",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Karadakov:1986:SPH,
author = "Peter Karadakov",
title = "The spin-projected {Hartree--Fock} method: {Direct}
optimization schemes and stability conditions",
journal = j-IJQC,
volume = "30",
number = "2",
pages = "239--264",
month = aug,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300205",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jayasuriya:1986:MEP,
author = "Keerthi Jayasuriya and David J. Williams",
title = "Molecular electrostatic potential studies on
antiepileptic drug: {Troxidone}",
journal = j-IJQC,
volume = "30",
number = "2",
pages = "265--273",
month = aug,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300206",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Otto:1986:SSD,
author = "P. Otto",
title = "On the stability of single- and double-stranded {DNA}
helices: {The} application of the {PPT-MCF} method on
large fragments of {DNA}",
journal = j-IJQC,
volume = "30",
number = "2",
pages = "275--288",
month = aug,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300207",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Shoda:1986:ESL,
author = "Takayuki Shoda and Takeshi Noro and Tsutomu Nomura and
Kimio Ohno",
title = "The electronic structure of low-lying excited states
of two model systems of retinal",
journal = j-IJQC,
volume = "30",
number = "2",
pages = "289--302",
month = aug,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300208",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cammi:1986:E,
author = "Roberto Cammi and Caterina Ghio and Jacopo Tomasi",
title = "Erratum",
journal = j-IJQC,
volume = "30",
number = "2",
pages = "303--304",
month = aug,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300209",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1986:Mh,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "30",
number = "2",
pages = "fmi--fmi",
month = aug,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300201",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Csavinszky:1986:VAS,
author = "P. Csavinszky",
title = "A variational approach to the solution of {Poisson}'s
equation in prolate spheroidal coordinates",
journal = j-IJQC,
volume = "30",
number = "3",
pages = "305--309",
month = sep,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300302",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kashiwagi:1986:IMC,
author = "Hiroshi Kashiwagi and Fumihiko Hirota and Umpei
Nagashima and Toshikazu Takada",
title = "Ab initio {MO} calculations on the chlorophyll--water
system and estimation of the structure of the special
pair",
journal = j-IJQC,
volume = "30",
number = "3",
pages = "311--326",
month = sep,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300303",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gould:1986:UGAa,
author = "M. D. Gould and J. Paldus",
title = "Unitary group approach to general system partitioning.
{I}. {Calculation} of {$U(n = n_1 + n_2) \colon U (n_1)
\times u(n_2)$} reduced matrix elements and reduced
{Wigner} coefficients",
journal = j-IJQC,
volume = "30",
number = "3",
pages = "327--363",
month = sep,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300304",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gould:1986:UGAb,
author = "M. D. Gould",
title = "Unitary group approach to general system partitioning.
{II}. {U} (n) matrix element evaluation in a composite
basis",
journal = j-IJQC,
volume = "30",
number = "3",
pages = "365--389",
month = sep,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300305",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ramiarez:1986:SGG,
author = "Rafael Ram{\'\i}arez and Michael C. B{\"o}hm",
title = "Simple geometric generation of special points in
brillouin-zone integrations. {Two}-dimensional
{Bravais} lattices",
journal = j-IJQC,
volume = "30",
number = "3",
pages = "391--411",
month = sep,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300306",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sannigrahi:1986:ISC,
author = "A. B. Sannigrahi and Sigrid D. Peyerimhoff",
title = "Ab initio {SCF} and {CI} study of the electronic
structure of the trichlorine radical",
journal = j-IJQC,
volume = "30",
number = "3",
pages = "413--420",
month = sep,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300307",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Timoneda:1986:ADP,
author = "J. Juan{\'o}s I. Timoneda",
title = "Alternative derivation of perturbation expansions in
the projection operator formalism",
journal = j-IJQC,
volume = "30",
number = "3",
pages = "421--431",
month = sep,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300308",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sellers:1986:AFCa,
author = "Harrell Sellers",
title = "Analytical force constant calculation as a
minimization problem",
journal = j-IJQC,
volume = "30",
number = "3",
pages = "433--436",
month = sep,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300309",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mujica:1986:BRB,
author = "Vladimiro Mujica",
title = "Book Review: {{\booktitle{Semi-Empirical methods of
quantum chemistry}}. By Joanna Sadlej (1979),
translated by Ian L. Cooper, Uppsala: Ellis Horwood
Limited, 1985}",
journal = j-IJQC,
volume = "30",
number = "3",
pages = "437--437",
month = sep,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300310",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Sadlej:1985:SEM}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Schwarz:1986:CUDb,
author = "W. H. E. Schwarz and L. Mensching and P. Valtazanos
and W. {Von Niessen}",
title = "A chemically useful definition of electron difference
densities",
journal = j-IJQC,
volume = "30",
number = "3",
pages = "439--444",
month = sep,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300311",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ohrn:1986:ABP,
author = "Yngve {\"O}hrn",
title = "The agp-based polarization propagator",
journal = j-IJQC,
volume = "30",
number = "3",
pages = "445--447",
month = sep,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300312",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Karna:1986:ESS,
author = "S. P. Karna and F. Grein",
title = "Erratum: {Semidiffuse states of diatomic molecules:
Configuration interaction studies of the lowest
$^2\Sigma^+$ and $^2\Delta$ states of NS, SiF, and
CCI}",
journal = j-IJQC,
volume = "30",
number = "3",
pages = "449--449",
month = sep,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300313",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Karna:1986:SSD}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Perdew:1986:DFT,
author = "John P. Perdew",
title = "Density functional theory and the band gap problem",
journal = j-IJQC,
volume = "30",
number = "3",
pages = "451--451",
month = sep,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300314",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1986:Mi,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "30",
number = "3",
pages = "fmi--fmii",
month = sep,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300301",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Takahata:1986:HSS,
author = "Y. Takahata",
title = "A {HAM\slash 3} study of substituted benzenes",
journal = j-IJQC,
volume = "30",
number = "4",
pages = "453--465",
month = oct,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300402",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lledos:1986:WCI,
author = "A. Lled{\'o}s and J. Bertr{\'a}n and Oscar N.
Ventura",
title = "Water-Chain intervention in the ketonization of vinyl
alcohol. {An} ab initio study",
journal = j-IJQC,
volume = "30",
number = "4",
pages = "467--477",
month = oct,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300403",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Malmqvist:1986:CTD,
author = "Per {\AA}ke Malmqvist",
title = "Calculation of transition density matrices by
nonunitary orbital transformations",
journal = j-IJQC,
volume = "30",
number = "4",
pages = "479--494",
month = oct,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300404",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kryachko:1986:RSO,
author = "Eugene S. Kryachko",
title = "On the red shift of {OH} stretching region vibrations
in ice and water",
journal = j-IJQC,
volume = "30",
number = "4",
pages = "495--508",
month = oct,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300405",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Panin:1986:SME,
author = "A. I. Panin and Yu. G. Khait and N. N. Gorinchoy",
title = "Structure of {MCSCF} electronic energy domain",
journal = j-IJQC,
volume = "30",
number = "4",
pages = "509--541",
month = oct,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300406",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ishida:1986:SCD,
author = "Kazuhiro Ishida",
title = "Spin and charge densities from
{Hiller--Sucher--Feinberg} identities. {Test}
calculations for {He}, {B}, {C}, {N}, {O}, and {F}
atoms and {H$_2$O}, {N$_2$}, and {CH$_3$} molecules",
journal = j-IJQC,
volume = "30",
number = "4",
pages = "543--562",
month = oct,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300407",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Seel:1986:ASC,
author = "M. Seel and G. {Del Re}",
title = "Accurate {SCF} computations on hydrogen bonds: {Role}
of polarization functions on the bridge hydrogen atom",
journal = j-IJQC,
volume = "30",
number = "4",
pages = "563--566",
month = oct,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300408",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Wojcik:1986:NTI,
author = "Marek J. W{\'o}jcik",
title = "Note on theoretical interpretation of infrared spectra
of {Cl H} and {Cl D} in gaseous {(CH$_3$)$_2$O} $\cdot$
{HCl} and {(CH$_3$)$_2$O} $\cdot$ {DCl} complexes",
journal = j-IJQC,
volume = "30",
number = "4",
pages = "567--569",
month = oct,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300409",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Olszewski:1986:AMQ,
author = "S. Olszewski",
title = "Angular-Momentum quantization applied to the
{Thomas--Fermi} atom",
journal = j-IJQC,
volume = "30",
number = "4",
pages = "571--571",
month = oct,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300410",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Taylor:1986:RSPb,
author = "William J. Taylor",
title = "Rayleigh--Schr{\"o}dinger perturbation theory for
many-electron systems with partitioning of
configurations by orders of excitation. {II}.
{Analysis} of the ground-state wavefunction and
energy",
journal = j-IJQC,
volume = "30",
number = "4",
pages = "573--573",
month = oct,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300411",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1986:Mj,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "30",
number = "4",
pages = "fmi--fmii",
month = oct,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300401",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:51 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tachibana:1986:VIO,
author = "Akitomo Tachibana and Takayuki Inoue and Tokio Yamabe
and Kenzi Hori",
title = "Vibronic interaction in one-dimensional polymer",
journal = j-IJQC,
volume = "30",
number = "5",
pages = "575--579",
month = nov,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300502",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gomez-jeria:1986:TSL,
author = "J. S. G{\'o}mez-jeria and Renato R. Contreras",
title = "Theoretical study of lithium-fluoride and
lithium-chloride ion pairs in aqueous solution. {An
SCF-CNDO} \slash 2 approach including continuum solvent
effects",
journal = j-IJQC,
volume = "30",
number = "5",
pages = "581--590",
month = nov,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300503",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zivkovic:1986:BBE,
author = "Tomislav P. {\v{Z}}ivkovi{\'c}",
title = "Butadiene and benzene $\pi$-electron {SCF} ground
states in the bond orbital resonance theory approach",
journal = j-IJQC,
volume = "30",
number = "5",
pages = "591--615",
month = nov,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300504",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Adamowicz:1986:EKT,
author = "Ludwik Adamowicz and James C. Ellenbogen and E. A.
{McCullough, Jr.}",
title = "Extended-{Koopmans}-theorem approach to ab initio
calculations upon the ground state and first excited
state of the {LiH} anion",
journal = j-IJQC,
volume = "30",
number = "5",
pages = "617--623",
month = nov,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300505",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gutsev:1986:EOE,
author = "G. L. Gutsev and A. I. Boldyrev and A. A.
Ovchinnikov",
title = "Energies of optical excitations and ionization
potentials for hydrocarbons with multiple bonds
according to results of the {DVM--X$_\alpha$}
calculations",
journal = j-IJQC,
volume = "30",
number = "5",
pages = "625--631",
month = nov,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300506",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hashimoto:1986:ERH,
author = "Katsufumi Hashimoto",
title = "Exact results on homopolar singlet excitation energies
of the {Hubbard} model for linear polyenes",
journal = j-IJQC,
volume = "30",
number = "5",
pages = "633--646",
month = nov,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300507",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gutsev:1986:ESA,
author = "G. L. Gutsev and A. I. Boldyrev and A. A.
Ovchinnikov",
title = "The electronic structure of all-trans-polyenes
{C$_{2n}$H$_{2n + 2}$, $n = 3{\rm --}7$}",
journal = j-IJQC,
volume = "30",
number = "5",
pages = "647--661",
month = nov,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300508",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gonzalez-Lafont:1986:IPF,
author = "A. Gonz{\`a}lez-Lafont and J. M. Lluch and A. Oliva
and J. Bertr{\'a}n",
title = "An intermolecular potential function for the
{Fe(II)--H$_2$O} system from ab initio calculations",
journal = j-IJQC,
volume = "30",
number = "5",
pages = "663--670",
month = nov,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300509",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rico:1986:TAD,
author = "J. F{\'e}rnandez Rico and J. R. Alvarez-Collado and M.
Paniagua and R. L{\'o}pez",
title = "Transferability of atomic descriptions in molecules",
journal = j-IJQC,
volume = "30",
number = "5",
pages = "671--684",
month = nov,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300510",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{deAndradaESilva:1986:VAM,
author = "E. A. {de Andrada E. Silva} and I. C. {da Cunha Lima}
and A. {Ferreira da Silva}",
title = "The variational alternant molecular orbital method for
{$3$-D} and {$2$-D} hydrogen molecule",
journal = j-IJQC,
volume = "30",
number = "5",
pages = "685--694",
month = nov,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300511",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cole:1986:NDP,
author = "Samuel J. Cole and Krzysztof Szalewicz and Rodney J.
Bartlett",
title = "Nitromethane dimer potential energy surface studies",
journal = j-IJQC,
volume = "30",
number = "5",
pages = "695--711",
month = nov,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300512",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sellers:1986:AFCb,
author = "Harrell Sellers",
title = "Analytical force constant calculation as a
minimization problem",
journal = j-IJQC,
volume = "30",
number = "5",
pages = "713--713",
month = nov,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300513",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1986:Ab,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "30",
number = "5",
pages = "715--715",
month = nov,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300514",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1986:Mk,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "30",
number = "5",
pages = "fmi--fmii",
month = nov,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300501",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Robertson:1986:QOD,
author = "Donald D. Robertson and Vedene H. {Smith, Jr.} and
Alfredo M. Simas and Ajit J. Thakkar",
title = "The quality of $s$-orbitals determined by
least-squares fitting and constrained variational
methods",
journal = j-IJQC,
volume = "30",
number = "6",
pages = "717--735",
month = dec,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300602",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kent:1986:GUG,
author = "R. D. Kent and M. Schlesinger",
title = "Graphical unitary group approach to arbitrary spin
representations",
journal = j-IJQC,
volume = "30",
number = "6",
pages = "737--750",
month = dec,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300603",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Thomson:1986:TSN,
author = "Colin Thomson and Christopher A. Reynolds",
title = "A theoretical study of {N}-nitrosamine metabolites:
{Possible} alkylating species in carcinogenesis by
{N,N'-dimethyl} nitrosamine",
journal = j-IJQC,
volume = "30",
number = "6",
pages = "751--762",
month = dec,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300604",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bowen-Jenkins:1986:QMS,
author = "Philippa E. Bowen-Jenkins and W. Graham Richards",
title = "Quantitative measures of similarity between
pharmacologically active compounds",
journal = j-IJQC,
volume = "30",
number = "6",
pages = "763--768",
month = dec,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300605",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lafemina:1986:DLG,
author = "John P. Lafemina and John P. Lowe",
title = "Degeneracy lifting in graphite and boron nitride: a
perturbational approach",
journal = j-IJQC,
volume = "30",
number = "6",
pages = "769--782",
month = dec,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300606",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dinesha:1986:EEA,
author = "K. V. Dinesha and Suman B. Iyer and Saraswathi
Vishveshwara",
title = "Energy expressions for atomic configurations in the
{L--S} coupling scheme",
journal = j-IJQC,
volume = "30",
number = "6",
pages = "783--790",
month = dec,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300607",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gritsenko:1986:CEP,
author = "O. V. Gritsenko and A. A. Bagaturyants and G. M.
Zhidomirov",
title = "On the construction of the effective pair correlation
function with the fixed zero value at the points where
two electron positions coincide",
journal = j-IJQC,
volume = "30",
number = "6",
pages = "791--797",
month = dec,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300608",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Duch:1986:DSE,
author = "W{\l}odzis{\l}aw Duch",
title = "From determinants to spin eigenfunctions---a simple
algorithm",
journal = j-IJQC,
volume = "30",
number = "6",
pages = "799--807",
month = dec,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300609",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Karwowski:1986:DSO,
author = "J. Karwowski and J. Kobus",
title = "The {Dirac} second-order equation and an improved
quasirelativistic theory of atoms",
journal = j-IJQC,
volume = "30",
number = "6",
pages = "809--819",
month = dec,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300610",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Takeuchi:1986:ETS,
author = "Munetaka Takeuchi and Makoto Nagashima and Kiyoshi
Tanaka and Shigehiro Konaka and Masao Kimura",
title = "Experimental and theoretical studies of small-angle
electron scattering by the water molecule",
journal = j-IJQC,
volume = "30",
number = "6",
pages = "821--830",
month = dec,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300611",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{TenHoor:1986:ATF,
author = "Marten J. {Ten Hoor}",
title = "Atomic {Thomas--Fermi} theory and electron subshell
filling",
journal = j-IJQC,
volume = "30",
number = "6",
pages = "831--844",
month = dec,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300612",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Largo-Cabrerizo:1986:CEL,
author = "A. Largo-Cabrerizo and J. Largo-Cabrerizo",
title = "The correlation effects at a local level. {CI}
partitions",
journal = j-IJQC,
volume = "30",
number = "6",
pages = "845--852",
month = dec,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300613",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Moscardo:1986:DAC,
author = "Federico Moscard{\'o} and Emilio San-Fabi{\'a}n",
title = "Dynamical analysis of correlated wavefunctions",
journal = j-IJQC,
volume = "30",
number = "6",
pages = "853--865",
month = dec,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300614",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Brandas:1986:BRBb,
author = "Erkki Br{\"a}ndas",
title = "Book Review: {{\booktitle{Mathematics and
computational concepts in chemistry}}. Edited by Nenad
Trinajsti{\'c}, Wiley, 1985}",
journal = j-IJQC,
volume = "30",
number = "6",
pages = "867--867",
month = dec,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300615",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Trinajstic:1986:MCC}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Calais:1986:BRBc,
author = "Jean-Louis Calais",
title = "Book Review: {{\booktitle{Solitons in molecular
systems}}. By A. S. Davydov, Reidel, Dordrect, 1985}",
journal = j-IJQC,
volume = "30",
number = "6",
pages = "869--869",
month = dec,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300616",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Davydov:1985:SMS,Davydov:1991:SMS}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Calais:1986:BRBd,
author = "Jean-Louis Calais",
title = "Book Review: {{\booktitle{Vibronic coupling}}. By G.
Fischer, Academic, London, 1984}",
journal = j-IJQC,
volume = "30",
number = "6",
pages = "871--871",
month = dec,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300617",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Fischer:1984:VCI}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Natiello:1986:BRB,
author = "Mario A. Natiello",
title = "Book Review: {{\booktitle{Orbitals, terms and
states}}. By Malcom Gerloch. Wiley, Chichester, 1986}",
journal = j-IJQC,
volume = "30",
number = "6",
pages = "873--873",
month = dec,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300618",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Gerloch:1986:OTS}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1986:Ml,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "30",
number = "6",
pages = "fmi--fmii",
month = dec,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300601",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Faxen:1986:WA,
author = "Magnus Faxen",
title = "Welcome address",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "1--1",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300803",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{March:1986:DEE,
author = "N. H. March",
title = "Differential equation for the electron density in
large molecules",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "3--8",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300804",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Rabinowitz:1986:MET,
author = "James R. Rabinowitz and Stephen B. Little",
title = "Multipole expansion techniques for the calculation and
characterization of molecular electrostatic
potentials",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "9--18",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300805",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Guha:1986:SEP,
author = "Sephali Guha and Devashis Majumdar",
title = "A study of the electrostatic potential maps for
several {GABA} ($\gamma$-aminobutyric acid) inhibitors
of restricted conformation",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "19--37",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300806",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Pethig:1986:IEI,
author = "Ronald Pethig and Jonathan A. R. Price",
title = "The influence of electrostatic interactions on the
activity of lysozyme",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "39--51",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300807",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Davies:1986:APP,
author = "R. H. Davies and R. D. Bagnall and B. Crooks and W. G.
M. Jones",
title = "Anesthetic potency and the perturbation of positive
ion or proton acceptor sites in the nerve membrane",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "53--70",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300808",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kurnig:1986:AEE,
author = "Ingrid J. Kurnig and Steve Scheiner",
title = "Additivity of the effects of external ions and dipoles
upon the energetics of proton transfer",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "71--79",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300809",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Broch:1986:CEP,
author = "H. Broch and D. Vasilescu",
title = "Conformation and electrostatic properties quantum
determination of the new radioprotector and anticancer
drug {I-102}",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "81--94",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300810",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Pullman:1986:FCQ,
author = "Bernard Pullman",
title = "A few considerations on quinones as antitumor agents",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "95--105",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300811",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Ford:1986:MMO,
author = "George P. Ford and Christopher T. Smith",
title = "An {MNDO} molecular orbital study of the reactions of
protonated oxirane with simple nucleophiles",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "107--119",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300812",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Saran:1986:MOS,
author = "Anil Saran and Lalit N. Patnaik",
title = "Molecular orbital studies on nucleoside antibiotics
{VIII}. {Conformation} of 5-substituted uridines",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "121--131",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300813",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Wojcik:1986:ICC,
author = "Marek J. W{\'o}jcik and Akiko Y. Hirakawa and
Masamichi Tsuboi",
title = "Ab initio calculation of cubic force constants in
formamide monomer, formamide dimer, formic acid dimer
and their {D}, {D$_2$} and {D$_4$} derivatives. {An}
estimation of {Fermi} resonance and
intra--intermolecular coupling",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "133--142",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300814",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Collins:1986:QMS,
author = "J. R. Collins and B. T. Luke and G. H. Loew",
title = "Quantum mechanical study of putative intermediates in
adduct formation by the suicide substrate ethylene with
cytochrome {P-450}",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "143--154",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300815",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Brandt:1986:IGV,
author = "Richard B. Brandt and Jerome E. Laux and Steven W.
Yates and Marvin R. Boots and Colin Thomson and Colin
Edge",
title = "Inhibition of glyoxalase {I} in vitro by coumarin and
coumarin derivatives",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "155--165",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300816",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Srinivasan:1986:MMP,
author = "Subhashini Srinivasan and Masayuki Shibata and Robert
Rein",
title = "Multistep modeling of protein structure: {Application}
to bungarotoxin",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "167--174",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300817",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kothekar:1986:ILE,
author = "V. Kothekar and Mrigank and A. K. Royyuru and A.
Kalia",
title = "Influence of local excitations in {DNA} conformation
on binding of nonintercalating antitumor antibiotic in
the minor groove",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "175--183",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300818",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kalia:1986:SSR,
author = "A. Kalia and A. K. Royyuru and Mrigank and V.
Kothekar",
title = "Sequence-specific recognition of {DNA} by
lac-repressor headpiece",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "185--194",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300819",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Gascoyne:1986:TCP,
author = "Peter R. C. Gascoyne",
title = "Theoretical criteria for the production of long-lived
populations of cytotoxic free radicals",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "195--207",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300820",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kohonen:1986:SOM,
author = "Teuvo Kohonen",
title = "Self-organization, memorization, and associative
recall of sensory information by brain-like adaptive
networks",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "209--221",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300821",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Fox:1986:MSU,
author = "Sidney W. Fox",
title = "Molecular selection in a unified evolutionary
sequence",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "223--235",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300822",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Prakash:1986:TRF,
author = "A. S. Prakash and I. S. Zegar and H. L. Price and P.
R. Lebreton",
title = "Time-resolved fluorescence studies of the effects of
metabolism on the {\em in vitro\/} reversible binding
and accumulation of benzo[a]pyrene in {DNA}",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "237--250",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300823",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Klasinc:1986:PSB,
author = "L. Klasinc and I. Novak and A. Sablji{\'c} and S. P.
Mcglynn and L. Klasinc",
title = "Photoelectron spectroscopy of biologically active
molecules. 12. Benzene-containing amides",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "251--260",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300824",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Purvis:1986:UDG,
author = "George D. {Purvis III} and Chris Culberson",
title = "Using density gradients to map atomic structure on
molecular isodensities",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "261--265",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300825",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Culberson:1986:ISS,
author = "John C. Culberson and George D. {Purvis III} and
Michael C. Zerner and Barbara A. Seiders",
title = "An investigation into the specificity of soman
analogues toward the antibody {BE2} using electrostatic
potentials",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "267--276",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300826",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Stamato:1986:CSA,
author = "Fulvia M. L. G. Stamato and Julia M. Goodfellow",
title = "Computer simulations of amino acid zwitterions in
solution",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "277--286",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300827",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Person:1986:KET,
author = "Willis B. Person and Krystyna Szczepaniak and Marian
Szczesniak",
title = "Keto-enol tautomerism of guanine and 9-methylguanine
monomers",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "287--289",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300828",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Varma:1986:RRC,
author = "Matesh N. Varma",
title = "Radiobiology and radiological and chemical physics
research as an aid in development of carcinogenesis
models",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "291--295",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300829",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Thomson:1986:SRD,
author = "Colin Thomson",
title = "Some recent developments concerning the mechanisms of
tumor promotion",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "297--305",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300830",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Ladik:1986:ICC,
author = "J{\'a}nos J. Ladik",
title = "The initiation of carcinogenesis in the cell",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "307--310",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300831",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lowdin:1986:CSM,
author = "Per-Olov L{\"o}wdin",
title = "Comments on some models of carcinogenesis",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "311--317",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300832",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lowdin:1986:Ia,
author = "P. O. L{\"o}wdin and N. Y. {\"O}hrn and J. R. Sabin
and M. C. Zerner",
title = "Introduction",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "v--v",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300802",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Anonymous:1986:Mm,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "30",
number = "S13",
pages = "fmi--fmi",
day = "6--8",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300801",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:53 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lowdin:1986:Ib,
author = "P. O. L{\"o}wdin and N. Y. {\"O}hrn and J. R. Sabin
and M. C. Zerner",
title = "Introduction",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "1--2",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300702",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1986:LPb,
author = "Anonymous",
title = "List of participants",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "3--12",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300703",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hanson:1986:RSS,
author = "Harold Hanson",
title = "Remarks at the {Sanibel Symposium, Marineland,
Florida, March 12, 1986}",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "13--19",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300704",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bessis:1986:SCU,
author = "Daniel Bessis and Carlos R. Handy",
title = "Systematic construction of upper and lower bounds to
the ground state energy of the {Schr{\"o}dinger}
equation",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "21--32",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300705",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Campoy:1986:NSS,
author = "G. Campoy and A. Palma",
title = "On the numerical solution of the {Schr{\"o}dinger}
equation with a polynomial potential",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "33--43",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300706",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mohallem:1986:GHW,
author = "J. R. Mohallem and R. M. Dreizler and M. Trsic",
title = "A {Griffin--Hill--Wheeler} version of the
{Hartree--Fock} equations",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "45--55",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300707",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Avery:1986:MDH,
author = "John Avery",
title = "Many-dimensional hydrogenlike wave functions and the
quantum mechanical many-body problem",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "57--63",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300708",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cizek:1986:LBG,
author = "J. {\v{C}}{\'\i}{\v{z}}ek and E. R. Vrscay",
title = "Lower bounds to ground state eigenvalues of the
{Schr{\"o}dinger} equation via optimized inner
projection: {Application} to quartic and sextic
anharmonic oscillators",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "65--72",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300709",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Elander:1986:MRT,
author = "Nils Elander and Peter Krylstedt and Erkki Br{\"a}ndas
and Erik Engdahl",
title = "The {$R$} matrix: {Its} relation to {Titchmarsh--Weyl}
theory and its complex rotated analogue",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "73--80",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300710",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{England:1986:LSF,
author = "Walter B. England and Thomas E. Sorensen and David M.
Silver",
title = "{Lewis} structures and {Feynman} diagrams: {The}
treatment of geminal correlation in {Fock} space",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "81--94",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300711",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Larson:1986:SME,
author = "Everett G. Larson",
title = "A solvable model with an extreme {AGP} ground state:
{Relationships} among fermion pairs, pairons, and
natural spin geminals",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "95--107",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300712",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Baretty:1986:MSA,
author = "Reinaldo Baretty and Yasuyuki Ishikawa and Jose F.
Nieves",
title = "Momentum space approach to the relativistic atomic
structure calculations",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "109--117",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300713",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Brandas:1986:MCS,
author = "Erkki Br{\"a}ndas",
title = "The method of complex scaling",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "119--127",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300714",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chu:1986:CSM,
author = "Shih-I Chu",
title = "The complex scaling method: {Application} to
autoionization, predissociation, and multiphoton
resonances",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "129--146",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300715",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Winkler:1986:SRR,
author = "Peter Winkler",
title = "Sum-rules in resonance calculations with complex
coordinates",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "147--151",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300716",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Klein:1986:CGT,
author = "D. J. Klein",
title = "Chemical graph-theoretic cluster expansions",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "153--171",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300717",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Szymanski:1986:INC,
author = "Klaus Szymanski and Wolfgang R. M{\"u}ller and Jan V.
Knop and Nenad Trinajsti{\'c}",
title = "On the identification numbers for chemical
structures",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "173--183",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300718",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Randic:1986:GTA,
author = "Milan Randi{\'c} and Howard E. Zimmerman",
title = "A graph theoretical approach to {M{\"o}bius} systems
in organic chemistry",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "185--201",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300719",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Randic:1986:SCH,
author = "Milan Randi{\'c} and Faith E. Nettleton",
title = "On the stability of conjugated hydrocarbon ions",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "203--218",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300720",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kozlowski:1986:GAG,
author = "Pawel M. Koz{\l}owski and Roman F. Nalewajski",
title = "A graph approach to the gradient expansion of density
functionals",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "219--226",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300721",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{King:1986:GTS,
author = "R. Bruce King",
title = "Graph theory in the study of metal cluster bonding
topology: {Applications} to metal clusters having fused
polyhedra",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "227--238",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300722",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Boudreaux:1986:NSC,
author = "Edward A. Boudreaux and Stephen P. Doussa and Mariusz
Klobukowski",
title = "Nonempirical self-consistent modified extended
{H{\"u}ckel} calculations on heavy-metal systems. {II}.
{Electronic} structure, bonding, and spectra of the
binuclear {Pt$_2$(P$_2$O$_5$H$_2$)} ion",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "239--252",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300723",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Krylstedt:1986:CSL,
author = "Peter Krylstedt and Nils Elander and Erkki
Br{\"a}ndas",
title = "Complex scaled local density calculations: {A} review
of recent developments",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "253--269",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300724",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Csavinszky:1986:ILT,
author = "P. Csavinszky",
title = "Investigation of the {Lieb--Thirring} lower bound to
the electronic kinetic energy via an energy--density
functional approach",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "271--276",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300725",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sierraalta:1986:NCF,
author = "An{\'\i}abal Sierraalta and Eduardo V. Lude{\~n}a",
title = "The nonlocal correlation function {$G(1,2)$} in
density functional theory",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "277--287",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300726",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Haberland:1986:GKS,
author = "Ralf Haberland and Lothar Fritsche",
title = "A generalized {Kohn--Sham} theory for low-energy
electron scattering by atoms including relativistic
effects",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "289--297",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300727",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pickett:1986:LDT,
author = "W. E. Pickett and C. S. Wang",
title = "A local density theory for dynamical correlation
corrections to single particle excitations in
semiconductors",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "299--311",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300728",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ferreira:1986:AVC,
author = "Luiz G. Ferreira and Manoel L. {De Siqueira}",
title = "Application of the variational cellular method to
semiconductors: {The ZnS} case",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "313--323",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300729",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Csavinszky:1986:DRD,
author = "P. Csavinszky and A. M. Elabsy",
title = "Dielectric response to a donor ion in a {Ga$_{1 -
x}$Al$_x$As \bond{} GaAs-Ga$_{1 - x}$Al$_x$As} quantum
well of finite depth",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "325--333",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300730",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Leite:1986:BCQ,
author = "Jos{\'e} R. Leite and Glaucia M. G. Oliveira and
Vivil{\'\i} M. S. Gomes and Alaor S. Chaves",
title = "The behavior of carriers in quantum wells in
{GaAs-A$_x$Ga$_{1 - x}$As} superlattices under in-plane
magnetic fields",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "335--346",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300731",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chacham:1986:NGA,
author = "H. Chacham and J. L. A. Alves and M. L. {De Siqueira}
and J. R. Leite",
title = "The noble gas atoms as impurities in silicon",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "347--351",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300732",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ellis:1986:IDT,
author = "D. E. Ellis and Diana Guenzburger and M. R. Press",
title = "Impurities and defects in transition metals and their
oxides",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "353--366",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300733",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{March:1986:EMM,
author = "N. H. March",
title = "Electron momenta in molecules and low-dimensional
solids",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "367--376",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300734",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Koelling:1986:BDM,
author = "D. D. Koelling",
title = "The band description of materials with localizing
orbitals",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "377--392",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300735",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{McMahan:1986:NMH,
author = "A. K. McMahan",
title = "New materials at high pressure",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "393--408",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300736",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mukherjee:1986:ALC,
author = "Debashis Mukherjee",
title = "Aspects of linked cluster expansion in general model
space many-body perturbation and coupled-cluster
theory",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "409--435",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300737",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Harrison:1986:MBP,
author = "Robert J. Harrison and Rodney J. Bartlett",
title = "A many-body perturbation theory and coupled cluster
study of the water dimer",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "437--443",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300738",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kaldor:1986:DCE,
author = "Uzi Kaldor",
title = "Direct calculation of excitation energies by the
coupled-cluster method: {Mg} and {Ar} atoms",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "445--453",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300739",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bardo:1986:TCR,
author = "Richard D. Bardo",
title = "Theoretical calculations of rate-determining steps for
ignition of shocked, condensed nitromethane",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "455--469",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300740",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Arickx:1986:GWP,
author = "F. Arickx and J. Broeckhove and W. Coene and P. {Van
Leuven}",
title = "{Gaussian} wave-packet dynamics",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "471--481",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300741",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Baer:1986:QIO,
author = "Michael Baer and Hiroki Nakamura and Donald J.
Kouri",
title = "Quantum infinite order sudden approximation for
ion-molecule reactions: {Treatment} of the {He $+$ H}
system",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "483--493",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300742",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Steckler:1986:DCK,
author = "Rozeanne Steckler and Donald G. Truhlar and Bruce C.
Garrett",
title = "Dynamics calculations of kinetic isotope effects for
the reactions of muonium atoms with {F$_2$} and
{Cl$_2$}",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "495--506",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300743",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sutcliffe:1986:CFM,
author = "B. T. Sutcliffe and J. Tennyson",
title = "The construction and fitting of molecular potential
energy surfaces and their use in vibration-rotation
calculations",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "507--520",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300744",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Karelson:1986:RFE,
author = "Mati M. Karelson and Alan R. Katritzky and Michael C.
Zerner",
title = "Reaction field effects on the electron distribution
and chemical reactivity of molecules",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "521--527",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300745",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Klei:1986:CPE,
author = "Herbert E. Klei and James J. P. Stewart",
title = "Calculation of polymer elastic moduli using
semiempirical methods",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "529--540",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300746",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Garcia-Sucre:1986:MRQ,
author = "M. Garcia-Sucre and R. Lefebvre",
title = "Multichannel resonance quantization with an optical
potential",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "541--546",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300747",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dayashankar:1986:EIC,
author = "Dayashankar and Suk T. Suh and A. E. S. Green",
title = "Electron impact cross sections and spatial aspects of
electron energy degradation in water vapor",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "547--554",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300748",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Campoy:1986:BEP,
author = "G. Campoy and E. Poulain and J. Morales and A.
Palma",
title = "Binding energies and peak intensities of light
hydrocarbon molecules through {TOM I}. {Methane} and
acetylene",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "555--561",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300749",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bauschlicher:1986:OTM,
author = "Charles W. {Bauschlicher, Jr.}",
title = "{OH}-transition metal bonding",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "563--572",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300750",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Contreras:1986:STC,
author = "Renato Contreras and Arie Aizman",
title = "On the {SCF} theory of continuum solvent effects
representation {II}. {Quantum} chemical calculation of
thermodynamic properties of some acid-base equilibria
in solution",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "573--584",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300751",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{RuizDeAzua:1986:PPA,
author = "M. C. {Ruiz De Azua} and A. C. Diz and C. G. Giribet
and R. H. Contreras and I. D. Rae",
title = "A polarization propagator analysis of through-space
spin-spin coupling constants: {$^{19}$F\bond{}$^{19}$F}
couplings",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "585--601",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300752",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Scuseria:1986:ICT,
author = "Gustavo E. Scuseria and Rub{\'e}n H. Contreras",
title = "Ab initio calculations of through-space nuclear
spin--spin coupling constants with the {IPPP} method",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "603--612",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300753",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fink:1986:CDM,
author = "M. Fink and Y. Zhang and R. A. Bonham",
title = "Charge deformation maps, molecular moments, and
high-energy electron scattering",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "613--625",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300754",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ketkar:1986:XRI,
author = "S. N. Ketkar and R. A. Bonham",
title = "The x-ray incoherent scattering factor for molecular
nitrogen as determined by high energy electron
scattering",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "627--633",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300755",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kumar:1986:PLO,
author = "D. Kumar and L. Klasinc and P. L. Clancy and R. V.
Nauman and S. P. Mcglynn",
title = "Pulsed laser optogalvanic spectroscopy of nitrogen in
a radiofrequency discharge",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "635--645",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300756",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Manmoto:1986:MPS,
author = "Yoshinori Manmoto and Mitsuo Satoh",
title = "Multiphoton processes in a solid in a doubly rotating
system by {NMR}",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "647--655",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300757",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cameron:1986:MAC,
author = "Alan D. Cameron and Vedene H. {Smith, Jr.} and Michael
C. Baird",
title = "On the mechanism of activation of coordinated olefins
toward nucleophilic attack",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "657--663",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300758",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cole:1986:OIM,
author = "Samuel J. Cole and George D. {Purvis III}",
title = "An optimizing interpreter for multidimensional
products in computational chemistry",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "665--680",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300759",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bowman:1986:RDR,
author = "Joel M. Bowman",
title = "Rotational distributions from resonances in {H $+$
H$_2$}",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "681--687",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300760",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gazdy:1986:VIT,
author = "Bela Gazdy and David A. Micha",
title = "Variationally improved transition amplitudes from
time-dependent {Hartree--Fock} wave functions:
{Application} to {He $+$ He$^{2+}$} collisions",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "689--697",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300761",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Trinajstic:1986:SSU,
author = "Nenad Trinajsti{\'c} and Douglas J. Klein and Milan
Randi{\'c}",
title = "On some solved and unsolved problems of chemical graph
theory",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "699--742",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300762",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1986:SCM,
author = "Per-Olov L{\"o}wdin",
title = "Some comments on the method of complex scaling to find
physical resonance states",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "743--748",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300763",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gomes:1986:IME,
author = "Vivil{\'\i} M. S. Gomes and Lucy V. C. Assali and
Jos{\'e} R. Leite",
title = "Ab-initio {MO} electronic structure calculations of
defect-pair complexes in silicon",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "749--761",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300764",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Karo:1986:MDS,
author = "A. M. Karo and J. R. Hardy",
title = "Molecular dynamics simulations of energy transfer in
shocked molecular systems",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "763--765",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300765",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Keller:1986:FHK,
author = "Jaime Keller",
title = "On the formulation of the {Hohenberg--Kohn--Sham}
theory",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "767--768",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300766",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1986:RAW,
author = "Per-Olov L{\"o}wdin",
title = "Remarks about the wave-function representability of
the first-order reduced density matrices",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "769--771",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300767",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1986:E,
author = "Anonymous",
title = "Erratum",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "772--772",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300768",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Micha:1986:CTC,
author = "David A. Micha",
title = "Collisional time-correlation functions for molecular
interactions",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "773--785",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300769",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1986:Mn,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "30",
number = "S20",
pages = "fmi--fmi",
day = "10--15",
month = mar,
year = "1986",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560300701",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:36:55 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Supplement: Proceedings of the International Syposium
on Atomic, Molecular, and Solid-State Theory,
Scattering Problems, Many Body Phenomena, and
Computational Quantum Chemistry.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1987:Ia,
author = "Anonymous",
title = "Introduction",
journal = j-IJQC,
volume = "31",
number = "1",
pages = "1--1",
month = jan,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310102",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Banerjee:1987:DSS,
author = "Ajit Banerjee and James O. Jensen",
title = "Discrete spatial symmetries in energy derivatives",
journal = j-IJQC,
volume = "31",
number = "1",
pages = "3--16",
month = jan,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310103",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Garrett:1987:RRH,
author = "Bruce C. Garrett and Donald G. Truhlar",
title = "Reaction rates for {O $+$ HD $\rightarrow$ OH $+$ D}
and {O $+$ HD $\rightarrow$ OD $+$ H}",
journal = j-IJQC,
volume = "31",
number = "1",
pages = "17--31",
month = jan,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310104",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Shepard:1987:GED,
author = "Ron Shepard",
title = "Geometrical energy derivative evaluation with {MRCI}
wave functions",
journal = j-IJQC,
volume = "31",
number = "1",
pages = "33--44",
month = jan,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310105",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Facelli:1987:AIB,
author = "Julio C. Facelli and David M. Grant and Josef Michl",
title = "Analysis of the {IGLO} bond contributions to the
{$^{13}$C} shielding tensors in the local bond frame",
journal = j-IJQC,
volume = "31",
number = "1",
pages = "45--55",
month = jan,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310106",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Schatz:1987:FHE,
author = "George C. Schatz and Jay K. Badenhoop and Charles W.
Eaker",
title = "The formation of highly excited {H} in the reaction
{H$_2^+$}(v) $+$ {H$_2$} $\rightarrow$ {H} $+$ {H}",
journal = j-IJQC,
volume = "31",
number = "1",
pages = "57--63",
month = jan,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310107",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Linderberg:1987:RSH,
author = "Jan Linderberg and Behnam Vessal",
title = "Reactive scattering in hyperspherical coordinates",
journal = j-IJQC,
volume = "31",
number = "1",
pages = "65--71",
month = jan,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310108",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Engelking:1987:SEE,
author = "P. C. Engelking and V. Vaida",
title = "Symmetry effects in the electronic spectrum of ammonia
at low temperature",
journal = j-IJQC,
volume = "31",
number = "1",
pages = "73--80",
month = jan,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310109",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gordon:1987:CBB,
author = "Mark S. Gordon and Donald G. Truhlar",
title = "Correlation balance in basis sets for electronic
structure calculations",
journal = j-IJQC,
volume = "31",
number = "1",
pages = "81--90",
month = jan,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310110",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Yarkony:1987:QLH,
author = "David R. Yarkony",
title = "On the quenching of {Li($^2p$)} by {HCl}:
{Nonadiabatic} effects",
journal = j-IJQC,
volume = "31",
number = "1",
pages = "91--97",
month = jan,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310111",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Graham:1987:EEO,
author = "Richard L. Graham and Danny L. Yeager",
title = "Excitation energies, oscillator strengths, and
frequency dependent polarizabilities of {Be}:
{Comparison} of {TDHF}, {EOM} (second order), and
{MCTDHF}",
journal = j-IJQC,
volume = "31",
number = "1",
pages = "99--112",
month = jan,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310112",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Obcemea:1987:FED,
author = "Ceferino H. Obcemea",
title = "Free energy and dispersion forces via response
functions",
journal = j-IJQC,
volume = "31",
number = "1",
pages = "113--117",
month = jan,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310113",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Shirts:1987:RDV,
author = "Randall B. Shirts",
title = "Rotational decoupling of vibrational modes due to
rotational excitation: {Application} to a model of the
{HDO} stretching motions",
journal = j-IJQC,
volume = "31",
number = "1",
pages = "119--131",
month = jan,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310114",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Futrell:1987:CMB,
author = "Jean H. Futrell",
title = "Crossed-Molecular beam studies of the state-to-state
reaction dynamics of charge transfer at low and
intermediate energy",
journal = j-IJQC,
volume = "31",
number = "1",
pages = "133--159",
month = jan,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310115",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Allan:1987:SRE,
author = "Michael Allan",
title = "Some recent experiments on inelastic electron-molecule
collisions at low energies",
journal = j-IJQC,
volume = "31",
number = "1",
pages = "161--172",
month = jan,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310116",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Adamowicz:1987:MCC,
author = "Ludwik Adamowicz and Rodney J. Bartlett",
title = "{MBPT} and coupled cluster calculation on the neon
atom with numerical orbitals",
journal = j-IJQC,
volume = "31",
number = "1",
pages = "173--177",
month = jan,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310117",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kaufman:1987:SNM,
author = "Joyce J. Kaufman",
title = "Symposium note: {More} new desirable computational
strategies for ab initio calculations on large
molecules, clusters, solids, and crystals",
journal = j-IJQC,
volume = "31",
number = "1",
pages = "179--184",
month = jan,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310118",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1987:Ma,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "31",
number = "1",
pages = "fmi--fmii",
month = jan,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310101",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:52 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lim:1987:OWH,
author = "Tiong-Koon Lim",
title = "Orthogonal {Waller--Hartree} spin eigenfunctions",
journal = j-IJQC,
volume = "31",
number = "2",
pages = "187--194",
month = feb,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310202",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hall:1987:SPFa,
author = "Lowell H. Hall and Bradley J. Orchard and Sukant K.
Tripathy",
title = "The structure and properties of flavins: {Molecular}
orbital study based on totally optimized geometries.
{I}. {Molecular} geometry investigations",
journal = j-IJQC,
volume = "31",
number = "2",
pages = "195--216",
month = feb,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310203",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hall:1987:SPFb,
author = "Lowell H. Hall and Bradley J. Orchard and Sukant K.
Tripathy",
title = "The structure and properties of flavins: {Molecular}
orbital study based on totally optimized geometries.
{II}. {Molecular} orbital structure and electron
distribution",
journal = j-IJQC,
volume = "31",
number = "2",
pages = "217--242",
month = feb,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310204",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Berrondo:1987:MEM,
author = "M. Berrondo and A. Palma and J. L.
L{\'o}pez-Bonilla",
title = "Matrix elements for the {Morse} potential using ladder
operators",
journal = j-IJQC,
volume = "31",
number = "2",
pages = "243--249",
month = feb,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310205",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cook:1987:OEA,
author = "David B. Cook",
title = "Orbital energies: {The} aufbau principle and
{Koopman}'s theorem in the {UHF} method",
journal = j-IJQC,
volume = "31",
number = "2",
pages = "251--268",
month = feb,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310206",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Nagy:1987:IEC,
author = "{\'A}. Nagy",
title = "Ab initio exchange-correlation parameter in the
{X$\alpha$} method",
journal = j-IJQC,
volume = "31",
number = "2",
pages = "269--278",
month = feb,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310207",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Francisco:1987:BSG,
author = "E. Francisco and L. Seijo and L. Pueyo",
title = "Basis sets generation: {Relation} between
{Adamowicz}'s and the maximum overlap method",
journal = j-IJQC,
volume = "31",
number = "2",
pages = "279--285",
month = feb,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310208",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cizek:1987:CCS,
author = "Ji{\v{r}}{\'\i} {\v{C}}{\'\i}{\v{z}}ek and Giuseppe
{Del Re}",
title = "{C. A. Coulson} and the surface energy of metals:
{The} distribution of eigenvalues as a difficult
problem in number theory",
journal = j-IJQC,
volume = "31",
number = "2",
pages = "287--293",
month = feb,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310209",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{El-Issa:1987:MOS,
author = "B. D. El-Issa and M. A. Makhyoun and B. A. Salsa'",
title = "A molecular orbital study of {\em cis\/} and {\em
trans\/} {diaminodichloroplatinum(II)}",
journal = j-IJQC,
volume = "31",
number = "2",
pages = "295--307",
month = feb,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310210",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Richard:1987:MMC,
author = "Ann M. Richard and James R. Rabinowitz",
title = "Modified molecular charge similarity indices for
choosing molecular analogues",
journal = j-IJQC,
volume = "31",
number = "2",
pages = "309--323",
month = feb,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310211",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Aagren:1987:BRBa,
author = "Hans {\AA}gren",
title = "Book Review: {{\booktitle{Comparison of Ab Initio
quantum chemistry with experiment for small molecules.
The state of the art}}. Edited by Rodney J. Bartlett,
D. Reidel Publishing Company, 1985}",
journal = j-IJQC,
volume = "31",
number = "2",
pages = "325--325",
month = feb,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310212",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Bartlett:1985:CIQ}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kumar:1987:PLO,
author = "D. Kumar and L. Klasinc and P. L. Clancy and S. P.
McGlynn",
title = "Pulsed laser optogalvanic spectroscopy of xenon in
{RF} discharge",
journal = j-IJQC,
volume = "31",
number = "2",
pages = "327--327",
month = feb,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310213",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ishikawa:1987:GBD,
author = "Yasuyuki Ishikawa and Reinaldo Baretty and Robert C.
{Binning, Jr.}",
title = "{Gaussian} basis for the {Dirac--Fock} discrete basis
expansion calculation",
journal = j-IJQC,
volume = "31",
number = "2",
pages = "329--329",
month = feb,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310214",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Odiot:1987:MTC,
author = "S. Odiot and M. Peyrard and J. Schnur and E. Oran",
title = "Molecular theory and cooperative mechanism of shock
waves-induced detonations in energetic molecular
crystals",
journal = j-IJQC,
volume = "31",
number = "2",
pages = "331--331",
month = feb,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310215",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1987:Mb,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "31",
number = "2",
pages = "fmi--fmii",
month = feb,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310201",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ohrn:1987:I,
author = "Yngve {\"O}hrn",
title = "Introduction",
journal = j-IJQC,
volume = "31",
number = "3",
pages = "333--333",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310302",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Anonymous:1987:PPA,
author = "Anonymous",
title = "Picture of professor {Andrew C}. {Hurley}",
journal = j-IJQC,
volume = "31",
number = "3",
pages = "335--335",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310303",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Anonymous:1987:PCF,
author = "Anonymous",
title = "Picture of the {``Cambridge five''}",
journal = j-IJQC,
volume = "31",
number = "3",
pages = "337--337",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310304",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Maslen:1987:CCH,
author = "V. W. Maslen",
title = "On the contribution of {A. C. Hurley} to theoretical
chemistry",
journal = j-IJQC,
volume = "31",
number = "3",
pages = "339--343",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310305",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Hurley:1987:EGR,
author = "A. C. Hurley and A. K. Head",
title = "Explicit {Galois} resolvents for sextic equations",
journal = j-IJQC,
volume = "31",
number = "3",
pages = "345--359",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310306",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{McIsaac:1987:EWF,
author = "K. McIsaac and E. N. Maslen",
title = "Exact wave functions for few-particle systems: {The}
choice of expansion for {Coulomb} potentials",
journal = j-IJQC,
volume = "31",
number = "3",
pages = "361--368",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310307",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Gready:1987:AIR,
author = "Jill E. Gready",
title = "Analysis of inter-ring coupling effects in
{N}-heterobicyclic $\pi$-systems using a structural
definition of aromaticity",
journal = j-IJQC,
volume = "31",
number = "3",
pages = "369--382",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310308",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Hall:1987:DSW,
author = "G. G. Hall",
title = "Diabatic surfaces which permute into one another",
journal = j-IJQC,
volume = "31",
number = "3",
pages = "383--391",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310309",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Riggs:1987:BSE,
author = "Noel V. Riggs and Leo Radom",
title = "The {3-21G(N*)} basis set: {An} economical polarized
basis set for ab initio studies on nitrogen-containing
molecules",
journal = j-IJQC,
volume = "31",
number = "3",
pages = "393--403",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310310",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Basch:1987:CBE,
author = "H. Basch and M. Krauss and W. J. Stevens",
title = "Cation binding effect on imidazole tautomerism",
journal = j-IJQC,
volume = "31",
number = "3",
pages = "405--415",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310311",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Craig:1987:CAM,
author = "D. P. Craig and T. Thirunamachandran",
title = "Chiral-achiral molecular coupling: {The} effect on the
chiral partner",
journal = j-IJQC,
volume = "31",
number = "3",
pages = "417--424",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310312",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Epstein:1987:SP,
author = "Saul T. Epstein",
title = "Stationary properties of {$\delta E / \delta R$}",
journal = j-IJQC,
volume = "31",
number = "3",
pages = "425--427",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310313",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Clabo:1987:FPF,
author = "D. Allen {Clabo, Jr.} and Henry F. {Schaefer 3rd}",
title = "Fluorine peroxide {(FOOF)}: a continuing problem for
normally reliable theoretical methods",
journal = j-IJQC,
volume = "31",
number = "3",
pages = "429--433",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310314",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Nesbet:1987:EPC,
author = "R. K. Nesbet",
title = "Electron pair correlation in atoms and molecules",
journal = j-IJQC,
volume = "31",
number = "3",
pages = "435--443",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310315",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Harcourt:1987:BOT,
author = "Richard D. Harcourt",
title = "{Bohr} orbit theory revisited. {II}. {Energies} for
{1S}, {2P}, {3D}, and {4F} states of helium",
journal = j-IJQC,
volume = "31",
number = "3",
pages = "445--453",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310316",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Coxeter:1987:SIC,
author = "H. S. M. Coxeter",
title = "A simple introduction to colored symmetry",
journal = j-IJQC,
volume = "31",
number = "3",
pages = "455--461",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310317",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Maclagan:1987:VBC,
author = "Robert G. A. R. Maclagan and Richard W. Simpson",
title = "Valence-bond calculations on {N$_2$} and isoelectronic
species",
journal = j-IJQC,
volume = "31",
number = "3",
pages = "463--470",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310318",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Bacskay:1987:HLB,
author = "George B. Bacskay and Glenn Bryant and Noel S. Hush",
title = "Hole localization and broken symmetry: a theoretical
study of core electron ionization in the {Li$_2$}
molecule",
journal = j-IJQC,
volume = "31",
number = "3",
pages = "471--487",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310319",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Lam:1987:GFA,
author = "Miu-To Brenda Lam and Stephen T. Elbert and Klaus
Ruedenberg",
title = "Generation of a full active configuration space basis
in terms of symmetry- and spin-adapted antisymmetrized
orbital products",
journal = j-IJQC,
volume = "31",
number = "3",
pages = "489--505",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310320",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Shavitt:1987:CSE,
author = "Isaiah Shavitt and Franklin B. Brown and Peter G.
Burton",
title = "Configuration selection and extrapolation in
multireference configuration interaction calculations:
{The} {(H$_2$)$_2$} {van der Waals} complex as a
benchmark example",
journal = j-IJQC,
volume = "31",
number = "3",
pages = "507--520",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310321",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Taylor:1987:IPB,
author = "Peter R. Taylor",
title = "Integral processing in beyond-{Hartree--Fock}
calculations",
journal = j-IJQC,
volume = "31",
number = "3",
pages = "521--534",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310322",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Gould:1987:BIR,
author = "M. D. Gould and G. S. Chandler",
title = "Bases for the irreducible representations of {O(3)}
symmetry adapted to a crystallographic point group",
journal = j-IJQC,
volume = "31",
number = "3",
pages = "535--563",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310323",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Anonymous:1987:Mc,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "31",
number = "3",
pages = "fmi--fmii",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310301",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "4 Apr 2005",
}
@Article{Guseinov:1987:UAE,
author = "I. I. Guseinov",
title = "Unified analytical evaluation of the two-center
{Coulomb} and hybrid integrals over {Slater}-type
orbitals",
journal = j-IJQC,
volume = "31",
number = "4",
pages = "565--567",
month = apr,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310402",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Murray:1987:CSS,
author = "Jane S. Murray and Peter Politzer",
title = "A computational study of some isomerization equilibria
and their possible relation to vinyl chloride
carcinogenicity",
journal = j-IJQC,
volume = "31",
number = "4",
pages = "569--579",
month = apr,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310403",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cioslowski:1987:UTS,
author = "J. Cioslowski",
title = "A unified theory of the stability of benzenoid
hydrocarbons",
journal = j-IJQC,
volume = "31",
number = "4",
pages = "581--590",
month = apr,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310404",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zivkovic:1987:SRA,
author = "Tomislav P. {\v{Z}}ivkovi{\'c}",
title = "Selection rules in alternant systems",
journal = j-IJQC,
volume = "31",
number = "4",
pages = "591--603",
month = apr,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310405",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cioslowski:1987:ASC,
author = "J. Cioslowski",
title = "Algebraic structure count of rotagraphs",
journal = j-IJQC,
volume = "31",
number = "4",
pages = "605--609",
month = apr,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310406",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tewari:1987:TSC,
author = "Ravindra Tewari",
title = "Theoretical studies on conformational preferences of
modified nucleic acid base {N$^6$-(N-glycylcarbonyl)}
adenine",
journal = j-IJQC,
volume = "31",
number = "4",
pages = "611--623",
month = apr,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310407",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Svrcek:1987:UTM,
author = "Michal Svr{\v{c}}ek and Ivan Huba{\v{c}}",
title = "Unitary transformation on the model space.
{Comparison} of {Brandow}'s and {Kirtman}'s versions of
quasidegenerate many body perturbation theory",
journal = j-IJQC,
volume = "31",
number = "4",
pages = "625--638",
month = apr,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310408",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gaspar:1987:GHF,
author = "R. G{\'a}sp{\'a}r and {\'A}. Nagy",
title = "Generalized {Hellmann--Feynman} theorem in the
{X$\alpha$} method",
journal = j-IJQC,
volume = "31",
number = "4",
pages = "639--647",
month = apr,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310409",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Czerminski:1987:IIR,
author = "Ryszard Czermi{\'n}ski",
title = "Intermolecular interactions: {Reliability} of results
obtained for small hydrogen bonded dimers by
{Claverie}'s method",
journal = j-IJQC,
volume = "31",
number = "4",
pages = "649--662",
month = apr,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310410",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bendazzoli:1987:SITa,
author = "G. L. Bendazzoli and S. Evangelisti and P. Palmieri",
title = "Some iterative techniques for large {CI} matrices.
{I}. {Excited} eigenvalues",
journal = j-IJQC,
volume = "31",
number = "4",
pages = "663--672",
month = apr,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310411",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bendazzoli:1987:SITb,
author = "G. L. Bendazzoli and S. Evangelisti and P. Palmieri",
title = "Some iterative techniques for large {CI} matrices.
{II}. {Singular} systems of linear equations",
journal = j-IJQC,
volume = "31",
number = "4",
pages = "673--684",
month = apr,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310412",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Smith:1987:OPA,
author = "C. M. Smith and G. G. Hall",
title = "Optimal population analysis",
journal = j-IJQC,
volume = "31",
number = "4",
pages = "685--692",
month = apr,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310413",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zerner:1987:BRB,
author = "Michael C. Zerner",
title = "Book Review: {{\booktitle{Conceptual quantum
chemistry: Models and applications}}. Special Subject
Issues of Croatica Chemica Acta, Vol. 57, Nos. 5 and 6,
pages 765--1674, 1984 Volumes Edited by Zvonimier B.
Maksi{\'c}}",
journal = j-IJQC,
volume = "31",
number = "4",
pages = "693--693",
month = apr,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310414",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Schuch:1987:MIM,
author = "D. Schuch and K.-M. Chung",
title = "From macroscopic irreversibility to microscopic
reversibility via a nonlinear {Schr{\"o}dinger}-type
field equation",
journal = j-IJQC,
volume = "31",
number = "4",
pages = "695--696",
month = apr,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310415",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1987:Md,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "31",
number = "4",
pages = "fmi--fmii",
month = apr,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310401",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:53 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Goscinski:1987:I,
author = "Osvaldo Goscinski",
title = "Introduction",
journal = j-IJQC,
volume = "31",
number = "5",
pages = "697--697",
month = may,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310502",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Brandas:1987:ICR,
author = "Erkki Br{\"a}ndas",
title = "Introduction to the concept of resonances",
journal = j-IJQC,
volume = "31",
number = "5",
pages = "699--705",
month = may,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310503",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Elander:1987:RNA,
author = "Nils Elander",
title = "Resonances in nuclear, atomic, and molecular
physics---an introduction with some examples",
journal = j-IJQC,
volume = "31",
number = "5",
pages = "707--731",
month = may,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310504",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sjostrand:1987:RMA,
author = "Johannes Sj{\"o}strand",
title = "Resonances and microlocal analysis",
journal = j-IJQC,
volume = "31",
number = "5",
pages = "733--737",
month = may,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310505",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Melin:1987:IMT,
author = "Anders Melin",
title = "Intertwining methods in the theory of inverse
scattering",
journal = j-IJQC,
volume = "31",
number = "5",
pages = "739--746",
month = may,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310506",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Taylor:1987:SOS,
author = "Howard S. Taylor",
title = "Spectroscopic order out of spectroscopic chaos",
journal = j-IJQC,
volume = "31",
number = "5",
pages = "747--753",
month = may,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310507",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Krylstedt:1987:SRE,
author = "Peter Krylstedt and Nils Elander and Erkki
Br{\"a}ndas",
title = "Shape resonances in electron--molecule scattering. {A}
proposed model in terms of {S} matrix poles and
associated generalized quantum numbers",
journal = j-IJQC,
volume = "31",
number = "5",
pages = "755--794",
month = may,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310508",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Siedentop:1987:LR,
author = "Heinz K. H. Siedentop",
title = "On the localization of resonances",
journal = j-IJQC,
volume = "31",
number = "5",
pages = "795--821",
month = may,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310509",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Froelich:1987:ICC,
author = "Piotr Froelich and Erland Sangfelt and Brian Weiner",
title = "Implementation of the complex coordinate method for
resonances and photoionization cross sections by means
of matrix element extrapolation",
journal = j-IJQC,
volume = "31",
number = "5",
pages = "823--831",
month = may,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310510",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{LHuillier:1987:MIM,
author = "Anne L'Huillier and Lars J{\"o}nsson and G{\"o}ran
Wendin",
title = "Multiphoton ionization of many-electron atoms",
journal = j-IJQC,
volume = "31",
number = "5",
pages = "833--840",
month = may,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310511",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Engelmann:1987:ABS,
author = "Alejandro R. Engelmann and Mario A. Natiello and
Mikael H{\"o}ghede and Erik Engdahl and Erkki
Br{\"a}ndas",
title = "Association of bound states of the {Coulomb} potential
with resonances of the {Coulomb} potential perturbed by
a barrier",
journal = j-IJQC,
volume = "31",
number = "5",
pages = "841--845",
month = may,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310512",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1987:Me,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "31",
number = "5",
pages = "fmi--fmii",
month = may,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310501",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Seybold:1987:PEA,
author = "Paul G. Seybold and Kenny B. Lipkowitz",
title = "The peri effect in aromatic hydrocarbon
carcinogenesis: {An} empirical force field
examination",
journal = j-IJQC,
volume = "31",
number = "6",
pages = "847--853",
month = jun,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310602",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Abu-Eittah:1987:SSS,
author = "R. H. Abu-Eittah and M. M. Hamed and M. M. Abdou",
title = "Spectroscopic studies on some phenylethylamine drugs:
{Molecular} orbital calculations",
journal = j-IJQC,
volume = "31",
number = "6",
pages = "855--869",
month = jun,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310603",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Matos:1987:EKT,
author = "J. Mauricio O. Matos and Orville W. Day",
title = "The extended {Koopmans}' theorem {Fock} operator",
journal = j-IJQC,
volume = "31",
number = "6",
pages = "871--892",
month = jun,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310604",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Colle:1987:MBS,
author = "Renato Colle and Alessandro Fortunelli and Oriano
Salvetti",
title = "A mixed basis set of {Slater} and {Gaussian}
functions. {Integrals} with modified {Gaussian}
functions",
journal = j-IJQC,
volume = "31",
number = "6",
pages = "893--901",
month = jun,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310605",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sanchez-Marin:1987:ASH,
author = "J. Sanchez-Marin and J. P. Malrieu and D. Maynau",
title = "Approximate solutions of {Heisenberg Hamiltonians}",
journal = j-IJQC,
volume = "31",
number = "6",
pages = "903--925",
month = jun,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310606",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Nagy:1987:MEF,
author = "P{\'e}ter Nagy and J{\'a}nos G. {\'A}ngy{\'a}n and
G{\'a}bor N{\'a}ray-Szab{\'o} and Gustav Peinel",
title = "Molecular electrostatic fields from bond fragments",
journal = j-IJQC,
volume = "31",
number = "6",
pages = "927--939",
month = jun,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310607",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Boca:1987:IRE,
author = "Roman Bo{\v{c}}a",
title = "Inclusion of relativistic effects into {ZDO} methods.
{I}. {A} quasi-relativistic {CNDO/1}",
journal = j-IJQC,
volume = "31",
number = "6",
pages = "941--950",
month = jun,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310608",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Roeggen:1987:ECD,
author = "I. R{\o}eggen",
title = "Electron correlation described by extended geminal
models: {The EXGEM} 4 and {EXGEM} 5 models",
journal = j-IJQC,
volume = "31",
number = "6",
pages = "951--974",
month = jun,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310609",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Luana:1987:CPE,
author = "V. Lua{\~n}a and L. Pueyo",
title = "Core projection effects in atomic frozen-core
calculations: a numerical analysis",
journal = j-IJQC,
volume = "31",
number = "6",
pages = "975--988",
month = jun,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310610",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ratner:1987:BRB,
author = "M. A. Ratner",
title = "Book Review: {{\booktitle{Chemical applications of
ultrafast spectroscopy}}. By Graham R. Fleming, Oxford,
New York, 1986}",
journal = j-IJQC,
volume = "31",
number = "6",
pages = "989--989",
month = jun,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310611",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Fleming:1986:CAU}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zivkovic:1987:BBE,
author = "Tomislav P. {\v{Z}}ivkovi{\'c}",
title = "Butadiene and benzene $\pi$-electron {SCF} ground
states in the bond orbital resonance theory approach",
journal = j-IJQC,
volume = "31",
number = "6",
pages = "991--991",
month = jun,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310612",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1987:Mf,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "31",
number = "6",
pages = "fmi--fmii",
month = jun,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560310601",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Liu:1987:MOM,
author = "Frank Liu and Chang-Guo Zhan",
title = "Maximum overlap method and the bond strength",
journal = j-IJQC,
volume = "32",
number = "1",
pages = "1--11",
month = jul,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320102",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
xxauthor = "Frank Liu (Liu Fan) and Chang-Guo Zhan",
}
@Article{Zhan:1987:BSB,
author = "Chang-Guo Zhan and Frank Liu and Zhen-Min Hu",
title = "Bond strength and bond angles for hybrid orbitals
composed of arbitrary sets of orbital angular momentum
quantum number",
journal = j-IJQC,
volume = "32",
number = "1",
pages = "13--18",
month = jul,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320103",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
xxauthor = "Chang-Guo Zhan and Frank Liu (Liu Fan) and Zhen-Min
Hu",
}
@Article{Pollock:1987:CSR,
author = "J. Kent Pollock and Douglas G. Pohl and Herbert A.
Pohl",
title = "Cellular spin resonance inversion by ion-induced
dipoles",
journal = j-IJQC,
volume = "32",
number = "1",
pages = "19--29",
month = jul,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320104",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dunne:1987:MPQ,
author = "Lawrence J. Dunne",
title = "The ``measurement problem'' in quantum chemistry and
the interpretation of phenomenological damping terms in
the method of classical trajectories for nonadiabatic
molecular collisions",
journal = j-IJQC,
volume = "32",
number = "1",
pages = "31--33",
month = jul,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320105",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Randic:1987:REL,
author = "Milan Randi{\'c} and Vasanth Solomon and Stuart C.
Grossman and Douglas J. Klein and Nenad Trinajsti",
title = "Resonance energies of large conjugated hydrocarbons by
a statistical method",
journal = j-IJQC,
volume = "32",
number = "1",
pages = "35--59",
month = jul,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320106",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Banerjee:1987:MEF,
author = "Manas Banerjee and Sankar Prasad Bhattacharyya",
title = "Molecules in an electric field: {Some} structural and
spectroscopic consequences",
journal = j-IJQC,
volume = "32",
number = "1",
pages = "61--69",
month = jul,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320107",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Matsen:1987:SFQa,
author = "F. A. Matsen",
title = "Spin-free quantum chemistry. {XXIII}. {The}
generator-state approach",
journal = j-IJQC,
volume = "32",
number = "1",
pages = "71--86",
month = jul,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320108",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Matsen:1987:SFQb,
author = "F. A. Matsen",
title = "Spin-free quantum chemistry. {XXIV}. {Freeon}
many-body theory",
journal = j-IJQC,
volume = "32",
number = "1",
pages = "87--104",
month = jul,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320109",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Matsen:1987:SFQc,
author = "F. A. Matsen",
title = "Spin-free quantum theory. {XXV}. {The} unitary-group
formulation of fermion many-body theory",
journal = j-IJQC,
volume = "32",
number = "1",
pages = "105--122",
month = jul,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320110",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Reynolds:1987:HCI,
author = "Christopher A. Reynolds and Colin Thomson",
title = "Hydrated carbonium ions as possible nitrosamine
metabolites: {An} ab initio study",
journal = j-IJQC,
volume = "32",
number = "1",
pages = "123--131",
month = jul,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320111",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gao:1987:PGS,
author = "M. J. Gao and J. Q. Chen and J. Paldus",
title = "Point group symmetry adaptation in {Clifford} algebra
unitary group approach",
journal = j-IJQC,
volume = "32",
number = "1",
pages = "133--147",
month = jul,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320112",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1987:Mg,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "32",
number = "1",
pages = "fmi--fmii",
month = jul,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320101",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jeziorska:1987:DCH,
author = "Ma{\l}gorzata Jeziorska and Bogumi{\l} Jeziorski and
Ji{\v{r}}{\'\i} {\v{C}}{\'\i}{\v{z}}ek",
title = "Direct calculation of the {Hartree--Fock} interaction
energy via exchange--perturbation expansion. {The}
{He\dottedbond{}He} interaction",
journal = j-IJQC,
volume = "32",
number = "2",
pages = "149--164",
month = aug,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320202",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{El-Basil:1987:RMP,
author = "S. El-Basil and M. El-Enany",
title = "A revisit to molecular path codes: {Ordering},
comparability, and similarity of benzenoid,
nonbenzenoid, and monoradical hydrocarbons",
journal = j-IJQC,
volume = "32",
number = "2",
pages = "165--179",
month = aug,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320203",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mishra:1987:FCD,
author = "P. C. Mishra and R. D. Tewari",
title = "Fixed closest distance of approach dipole potential
mapping: {An} effective alternative to the monopole
isopotential approach",
journal = j-IJQC,
volume = "32",
number = "2",
pages = "181--191",
month = aug,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320204",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rubin:1987:NMT,
author = "I. R. Rubin and V. A. Lobatch and B. V. Shulgin",
title = "``Non-muffin tin'' corrections of the {SCF
X$_\alpha$-SW} method. {I}",
journal = j-IJQC,
volume = "32",
number = "2",
pages = "193--205",
month = aug,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320205",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Alagona:1987:EFL,
author = "Giuliano Alagona and Caterina Ghio and Roberto Cammi
and Jacopo Tomasi",
title = "The effect of ``full'' and ``limited'' counterpoise
corrections with different basis sets on the energy and
the equilibrium distance of hydrogen bonded dimers",
journal = j-IJQC,
volume = "32",
number = "2",
pages = "207--226",
month = aug,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320206",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Alagona:1987:DSI,
author = "Giuliano Alagona and Caterina Ghio and Roberto Cammi
and Jacopo Tomasi",
title = "The decomposition of the {SCF} interaction energy in
hydrogen bonded dimers corrected for basis set
superposition errors: {An} examination of the basis set
dependence",
journal = j-IJQC,
volume = "32",
number = "2",
pages = "227--248",
month = aug,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320207",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Koch:1987:SOO,
author = "Wolfhard Koch and Friedrich Franz Seelig",
title = "Symmetry orbitals for one-electron band-structure
computations of one-dimensional crystals",
journal = j-IJQC,
volume = "32",
number = "2",
pages = "249--264",
month = aug,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320208",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jug:1987:DPS,
author = "Karl Jug and R{\"u}diger Iffert and Joachim Schulz",
title = "Development and parametrization of {SINDO1} for
second-row elements",
journal = j-IJQC,
volume = "32",
number = "2",
pages = "265--277",
month = aug,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320209",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1987:Mh,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "32",
number = "2",
pages = "fmi--fmii",
month = aug,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320201",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sokalski:1987:BSE,
author = "W. A. Sokalski and S. Roszak",
title = "Basis set extension effects on the {He$_2$}
interaction energy components",
journal = j-IJQC,
volume = "32",
number = "3",
pages = "279--293",
month = sep,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320302",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Esquivel:1987:AED,
author = "Rodolfo O. Esquivel and Annik Vivier Bunge",
title = "Accurate electron density and one-electron properties
for the beryllium atom",
journal = j-IJQC,
volume = "32",
number = "3",
pages = "295--312",
month = sep,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320303",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zivkovic:1987:AST,
author = "T. P. {\v{Z}}ivkovi{\'c}",
title = "Alternant systems and their properties",
journal = j-IJQC,
volume = "32",
number = "3",
pages = "313--347",
month = sep,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320304",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Briels:1987:CGF,
author = "W. J. Briels",
title = "The {Coulomb Green}'s function in {IR$^3$} and its
relation to the harmonic oscillator in {IR$^4$}",
journal = j-IJQC,
volume = "32",
number = "3",
pages = "349--359",
month = sep,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320305",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Alexander:1987:PSC,
author = "S. A. Alexander and H. J. Monkhorst",
title = "Polyatomic {SCF} calculations with numerical orbitals.
{I}. {Introduction} and computational experiments on
the {CYBER} 205",
journal = j-IJQC,
volume = "32",
number = "3",
pages = "361--375",
month = sep,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320306",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Klein:1987:EPT,
author = "D. J. Klein",
title = "Exchange perturbation theories",
journal = j-IJQC,
volume = "32",
number = "3",
pages = "377--396",
month = sep,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320307",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Micha:1987:BRB,
author = "David A. Micha",
title = "Book Review: {{\booktitle{The theory of chemical
reaction dynamics}}. Edited by D. C. Clary, D. Reidel
Publishing Company, Dordrecht, Holland, 1986}",
journal = j-IJQC,
volume = "32",
number = "3",
pages = "397--397",
month = sep,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320308",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Clary:1986:TCR}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kumar:1987:BRB,
author = "Pradeep Kumar",
title = "Book Review: {{\booktitle{Quantum theory of collective
phenomena}}. By G. L. Sewell, Oxford University Press,
1986}",
journal = j-IJQC,
volume = "32",
number = "3",
pages = "399--399",
month = sep,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320309",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Sewell:1986:QTC}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rosch:1987:BRB,
author = "N. R{\"o}sch",
title = "Book Review: {{\booktitle{Rotations, quaternions and
double groups}}. By Simon L. Altmann, Clarendon Press,
Oxford, 1986, 317 pp}",
journal = j-IJQC,
volume = "32",
number = "3",
pages = "401--401",
month = sep,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320310",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Altmann:1986:RQD,Altmann:2005:RQD}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1987:ESP,
author = "Anonymous",
title = "The electronic structure and properties of molecules
and molecular crystals",
journal = j-IJQC,
volume = "32",
number = "3",
pages = "403--403",
month = sep,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320311",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Georgiev:1987:QTD,
author = "M. Georgiev and A. Gochev and A. Diaz-Gongora",
title = "Quantum theory of dielectric relaxation in polar
solids",
journal = j-IJQC,
volume = "32",
number = "3",
pages = "405--406",
month = sep,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320312",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Csavinszky:1987:TAB,
author = "P. Csavinszky",
title = "Total atomic binding energy via the density functional
theory",
journal = j-IJQC,
volume = "32",
number = "3",
pages = "407--408",
month = sep,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320313",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mohallem:1987:GHW,
author = "J. R. Mohallem and R. M. Dreizler and M. Trsic",
title = "A {Griffin--Hill--Wheeler} version of the
{Hartree--Fock} equations",
journal = j-IJQC,
volume = "32",
number = "3",
pages = "409--409",
month = sep,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320314",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1987:Mi,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "32",
number = "3",
pages = "fmi--fmii",
month = sep,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320301",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:54 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Datta:1987:MCT,
author = "S. N. Datta and S. Priyadarshy",
title = "A model calculation on the transport of excitation
energy in a molecular crystal",
journal = j-IJQC,
volume = "32",
number = "4",
pages = "411--426",
month = oct,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320402",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Robertson:1987:MBS,
author = "Donald D. Robertson and Vedene H. {Smith, Jr.} and
Ajit J. Thakkar",
title = "More on basis set quality tests",
journal = j-IJQC,
volume = "32",
number = "4",
pages = "427--434",
month = oct,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320403",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Luo:1987:CDM,
author = "Liaofu Luo",
title = "Conformation dynamics of macromolecules",
journal = j-IJQC,
volume = "32",
number = "4",
pages = "435--450",
month = oct,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320404",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cioslowski:1987:FDR,
author = "J. Cioslowski",
title = "The functional derivatives of the {Rayleigh}'s
quotient---concept and applications",
journal = j-IJQC,
volume = "32",
number = "4",
pages = "451--456",
month = oct,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320405",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Engelmann:1987:SCS,
author = "Alejandro R. Engelmann and Mario A. Natiello",
title = "Some considerations on the {Sturmian} approach to
{Green}'s functions",
journal = j-IJQC,
volume = "32",
number = "4",
pages = "457--466",
month = oct,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320406",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kryachko:1987:MLSa,
author = "Eugene S. Kryachko and Ivan Zh. Petkov and Mario V.
Stoitsov",
title = "Method of local-scaling transformations and density
functional theory in quantum chemistry. {II}. {The}
procedure for reproducing a many-electron wave function
from x-ray diffraction data on one-electron density",
journal = j-IJQC,
volume = "32",
number = "4",
pages = "467--472",
month = oct,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320407",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kryachko:1987:MLSb,
author = "Eugene S. Kryachko and Ivan Zh. Petkov and Mario V.
Stoitsov",
title = "Method of local-scaling transformations and density
functional theory in quantum chemistry. {III}. {The}
energy density functional: {Spin}-restricted approach",
journal = j-IJQC,
volume = "32",
number = "4",
pages = "473--489",
month = oct,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320408",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Polansky:1987:SPN,
author = "O. E. Polansky and P. Schuster and C. I. Ivanov and N.
Tyutyulkov",
title = "Structure and properties of nonclassical polymers.
{V}. {On} a class of nonalternant polymers with
localized nonbonding bands",
journal = j-IJQC,
volume = "32",
number = "4",
pages = "491--499",
month = oct,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320409",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tomasek:1987:SQR,
author = "Mojm{\'\i}r Tom{\'a}{\v{s}}ek and
{\v{S}}t{\v{e}}p{\'a}n Pick",
title = "Simple qualitative rules to study the surface
electronic structure of some binary crystals",
journal = j-IJQC,
volume = "32",
number = "4",
pages = "501--509",
month = oct,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320410",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zuniga:1987:HST,
author = "J. Z{\'u}{\~n}iga and A. Hidalgo and F. Bernab{\'e}
and A. Fuster and A. Requena",
title = "Hypervirial {SCF} treatment for vibrational energy
levels of triatomic molecules",
journal = j-IJQC,
volume = "32",
number = "4",
pages = "511--516",
month = oct,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320411",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Carbo:1987:LMS,
author = "Ramon Carb{\'o} and Lloren{\c{c}} Domingo",
title = "{LCAO}--{MO} similarity measures and taxonomy",
journal = j-IJQC,
volume = "32",
number = "4",
pages = "517--545",
month = oct,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320412",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Aagren:1987:BRBb,
author = "Hans {\AA}gren",
title = "Book Review: {{\booktitle{Geometrical derivatives of
energy surfaces and molecular properties}}. Edited by
Poul J{\o}rgensen and Jack Simons, D. Reidel publishing
company, Dordrecht, 1986}",
journal = j-IJQC,
volume = "32",
number = "4",
pages = "547--547",
month = oct,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320413",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Jorgensen:1986:GDE}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Aagren:1987:BRBc,
author = "Hans {\AA}gren",
title = "Book Review: {{\booktitle{Handbook of Gaussian basis
sets: A compendium for ab-initio molecular orbital
calculations}}. By Raymond Poirier, Roy Kari, and Imre
Csizmadia. Elsevier science publishers B.V., Amsterdem,
1985}",
journal = j-IJQC,
volume = "32",
number = "4",
pages = "549--549",
month = oct,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320414",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Poirier:1985:HGB}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1987:Mj,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "32",
number = "4",
pages = "fmi--fmii",
month = oct,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320401",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Guner:1987:PEM,
author = "O. F. Guner and D. D. Shillady and R. M. Ottenbrite
and B. K. Rao and E. Yurtsever",
title = "Pair-excitation {MCSCF} treatment of small molecules
in an optimized {Slater--Transform--Preuss} basis set",
journal = j-IJQC,
volume = "32",
number = "5",
pages = "551--562",
month = nov,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320502",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Varandas:1987:DMB,
author = "A. J. C. Varandas",
title = "The double many-body expansion of potential energy
surfaces from interacting {$^2$S} atoms",
journal = j-IJQC,
volume = "32",
number = "5",
pages = "563--574",
month = nov,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320503",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sinha:1987:GVC,
author = "S. K. Sinha and R. Ghosh",
title = "A gauge-variational calculation of molecular
diamagnetic susceptibility",
journal = j-IJQC,
volume = "32",
number = "5",
pages = "575--589",
month = nov,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320504",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fernandez:1987:LDP,
author = "Francisco M. Fern{\'a}ndez and Eduardo A. Castro",
title = "On the linearly driven parametric oscillator",
journal = j-IJQC,
volume = "32",
number = "5",
pages = "591--594",
month = nov,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320505",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Patnaik:1987:CPD,
author = "Lalit N. Patnaik and Sarojini Das",
title = "Conformation of p-dimethylamino aza styryl dyes",
journal = j-IJQC,
volume = "32",
number = "5",
pages = "595--612",
month = nov,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320506",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Vrscay:1987:RSPa,
author = "Edward R. Vrscay",
title = "{Rayleigh--Schr{\"o}dinger} perturbation expansions
for a hydrogen atom in a polynomial perturbation",
journal = j-IJQC,
volume = "32",
number = "5",
pages = "613--620",
month = nov,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320507",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1987:Mk,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "32",
number = "5",
pages = "fmi--fmii",
month = nov,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320501",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zivkovic:1987:SIA,
author = "T. P. {\v{Z}}ivkovi{\'c}",
title = "Spin-Independent alternant systems",
journal = j-IJQC,
volume = "32",
number = "6",
pages = "621--653",
month = dec,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320602",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gomes:1987:ITE,
author = "V. M. S. Gomes and G. M. G. Oliveira and J. R. Leite
and A. S. Chaves",
title = "Intersubband transition energies in quantum wells in
$n$-Type {GaAs-Al$_x$Ga$_{1 - x}$As} heterostructures",
journal = j-IJQC,
volume = "32",
number = "6",
pages = "655--661",
month = dec,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320603",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Vinette:1987:RIP,
author = "Francine Vinette and Jiri Cizek and Edward R.
Vrscay",
title = "Renormalized inner projection---a case study: {The}
octic oscillator",
journal = j-IJQC,
volume = "32",
number = "6",
pages = "663--667",
month = dec,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320604",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kumicaak:1987:SAA,
author = "Juraj Kumi{\v{c}}{\'a}ak and Erkki Br{\"a}ndas",
title = "Some aspects of approach to equilibrium in classical
and quantum systems",
journal = j-IJQC,
volume = "32",
number = "6",
pages = "669--683",
month = dec,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320605",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Toro-Labbe:1987:ICM,
author = "A. Toro-Labbe and C. Cardenas",
title = "The intramolecular conversion of monothioformic acid:
{An} ab initio study",
journal = j-IJQC,
volume = "32",
number = "6",
pages = "685--697",
month = dec,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320606",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kucar:1987:MCD,
author = "Jasna Ku{\v{c}}ar and Milica Pavlovi{\'c} and Josip
Hendekovi{\'c}",
title = "A method for constructing diabatic states by
interpolation on the reduced density matrix",
journal = j-IJQC,
volume = "32",
number = "6",
pages = "699--704",
month = dec,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320607",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pavlovic:1987:VCD,
author = "Milica Pavlovi{\'c} and Jasna Ku{\v{c}}ar and Josip
Hendekovi{\'c}",
title = "Variational construction of diabatic states",
journal = j-IJQC,
volume = "32",
number = "6",
pages = "705--710",
month = dec,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320608",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pavlides:1987:SPE,
author = "P. Pavlides and K. D. Sales",
title = "Spin-Projected {EHF} equations",
journal = j-IJQC,
volume = "32",
number = "6",
pages = "711--722",
month = dec,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320609",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1987:SS,
author = "Anonymous",
title = "{Sanibel Symposium}",
journal = j-IJQC,
volume = "32",
number = "6",
pages = "723--723",
month = dec,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320610",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1987:Ml,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "32",
number = "6",
pages = "fmi--fmii",
month = dec,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320601",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fox:1987:MPA,
author = "Sidney Fox",
title = "In memory of {Professor Albert Szent-Gy{\"o}rgyi}",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "1--1",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320803",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Ladik:1987:ASG,
author = "J{\'a}nos J. Ladik",
title = "{Albert Szent-Gy{\"o}rgyi}'s impact on theoretical
biophysics",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "3--7",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320804",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Jhon:1987:SRC,
author = "Mu Shik Jhon and Per-Olov L{\"o}wdin",
title = "Some remarks on certain magnetic properties of water
in the study of cancer",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "9--14",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320805",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Chen:1987:IBA,
author = "Kai-Xian Chen and Nohad Gresh and Bernard Pullman",
title = "Intercalative binding and antitumor activity of
bisantrene and derivatives",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "15--25",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320806",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{DelBene:1987:BSC,
author = "Janet E. {Del Bene}",
title = "Basis set and correlation effects on computed negative
ion hydrogen bond energies of the complexes {AH$_n$
$\cdot$ AH$_{n-1}$}$^{-1}$: {AH$_n$NH$_3$}, {OH$_2$},
and {FH}",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "27--35",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320807",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Kaufman:1987:IMCa,
author = "Joyce J. Kaufman and P. C. Hariharan and Szczepan
Roszak and P. B. Keegstra",
title = "Ab initio {MRD-CI} calculations on protonated cyclic
ethers. {I}. {Protonation} pathways involve
multipotential surfaces (protonation of oxetane). {II}.
{Differences} from {SCF} in dominant configurations
upon opening non-protonated oxirane rings (epoxides)",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "37--46",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320808",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Kurnig:1987:IIS,
author = "Ingrid J. Kurnig and Steve Scheiner",
title = "Ab initio investigation of the structure of hydrogen
halide-amine complexes in the gas phase and in a
polarizable medium",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "47--56",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320809",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Ford:1987:MMO,
author = "George P. Ford and Christopher T. Smith",
title = "An {MNDO} molecular orbital study of the reactions of
protonated oxirane with guanine",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "57--64",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320810",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Cieplak:1987:AQM,
author = "Piotr Cieplak and U. Chandra Singh and Peter A.
Kollman",
title = "Application of the quantum mechanics and free energy
perturbation methods to study molecular processes",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "65--74",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320811",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Loew:1987:SDD,
author = "Gilda Loew and Jack Collins and Lek Chantranupong and
Ahmad Waleh",
title = "Spin density distribution in oxygen-liganded model
heme proteins: {Predictions} of {$^{17}$O} hyperfine
broadening of {ESR} spectra of metmyoglobin, cytochrome
{C} peroxidase, catalase, and cytochrome {P450}",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "75--83",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320812",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Dory:1987:EGE,
author = "Magdalena Dory and Joseph Delhalle and Joseph G.
Fripiat and Jean-Marie Andre",
title = "Equilbrium geometry and electrical polarizability of
formic acid, formamide and their cyclic hydrogen-bonded
pairs",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "85--103",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320813",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Hodgkin:1987:MSB,
author = "Edward E. Hodgkin and W. Graham Richards",
title = "Molecular similarity based on electrostatic potential
and electric field",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "105--110",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320814",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Sokalski:1987:LCA,
author = "W. A. Sokalski and P. C. Hariharan and Joyce J.
Kaufman",
title = "Library of cumulative atomic multipole moments. {I}.
{Nucleic} acid bases",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "111--126",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320815",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Mezey:1987:GTS,
author = "Paul G. Mezey",
title = "Group theory of shapes of asymmetric biomolecules",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "127--132",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320816",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Arteca:1987:MCM,
author = "Gustavo A. Arteca and Paul G. Mezey",
title = "A method for the characterization of molecular
conformations",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "133--147",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320817",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Vasilescu:1987:MSA,
author = "D. Vasilescu and R. Viani",
title = "Molecular similarity in aminothiol radioprotectors: a
{Randi{\v{c}}} graph approach",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "149--165",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320818",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Conrad:1987:WMI,
author = "Michael Conrad",
title = "The water-membrane interface as a substrate for
{H$^+$\bond{}H$^+$} superflow",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "167--188",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320819",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Kong:1987:SPT,
author = "Young Shik Kong and Mu Shik Jhon and Per-Olov
L{\"o}wdin",
title = "Studies on proton transfers in water clusters and
{DNA} base pairs",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "189--209",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320820",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Dijkman:1987:PCC,
author = "Johannes P. Dijkman and Roman Osman and Harel
Weinstein",
title = "Practical considerations in calculations of the proton
transfer in a model active site of papain",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "211--219",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320821",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Davies:1987:DRM,
author = "R. H. Davies",
title = "Drug and receptors in molecular biology",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "221--243",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320822",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Randic:1987:SAS,
author = "Milan Randi{\'c} and Borka Jerman-Bla{\v{z}}i{\v{c}}
and Dennis H. Rouvray and Paul G. Seybold and Stuart
C. Grossman",
title = "The search for active substructures in
structure-activity studies",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "245--260",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320823",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Urry:1987:EEF,
author = "Dan W. Urry",
title = "Entropic elastomeric force in protein structure\slash
function",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "261--280",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320824",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Srinivasan:1987:MMP,
author = "Subhashini Srinivasan and Masayuki Shibata and Mihir
Roychoudhury and Robert Rein",
title = "Multistep modeling of protein structure: {Application}
towards refinement of {tyr-tRNA} synthetase",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "281--288",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320825",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Sundaralingam:1987:SAH,
author = "M. Sundaralingam and Y. C. Sekharudu and N. Yathindra
and V. Ravichandran",
title = "Stabilization of alpha helices by ion pairs",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "289--296",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320826",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Porath:1987:TAN,
author = "Jerker Porath and T. William Hutchens",
title = "Thiophilic adsorption: {A} new kind of molecular
interaction revealed by chromatography",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "297--315",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320827",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Klasinc:1987:PSB,
author = "L. Klasinc and B. Kova{\v{c}} and A. Sablji{\'c} and
S. P. McGlynn",
title = "Photoelectron spectroscopy of biologically active
molecules. 14. {Some} analgesic-antipyretic and
anti-inflammatory agents",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "317--324",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320828",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Bogdanov:1987:UWI,
author = "B. Bogdanov and S. Nikoli{\'c} and A. Sablji{\'c} and
N. Trinajsti{\'c} and S. Carter",
title = "On the use of the weighted identification numbers in
the {QSAR} study of the toxicity of aliphatic ethers",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "325--330",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320829",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Andrew:1987:HIN,
author = "E. Raymond Andrew",
title = "Human images by nuclear magnetic resonance",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "331--339",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320830",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Hori:1987:PMC,
author = "Kenzi Hori and Joseph N. Kushick and Alan Factor and
Harel Weinstein",
title = "Parameters and mechanisms of calcium binding to
peptides and proteins",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "341--345",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320831",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Fox:1987:PAT,
author = "Sidney W. Fox and Franz Hefti and Jukka Hartikka and
Emmanuel Junard and Alexander T. Przybylski and Graham
Vaughan",
title = "Pharmacological activities in thermal proteins:
{Relationships} in molecular evolution",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "347--349",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320832",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Anonymous:1987:Ib,
author = "Anonymous",
title = "Introduction",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "v--v",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320802",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Anonymous:1987:Mm,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "32",
number = "S14",
pages = "fmi--fmi",
day = "14",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320801",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:41:53 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "16 Apr 2008",
}
@Article{Lowdin:1987:I,
author = "P. O. L{\"o}wdin and N. Y. {\"O}hrn and J. R. Sabin
and M. C. Zerner",
title = "Introduction",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "1--1",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320702",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1987:LP,
author = "Anonymous",
title = "List of participants",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "3--11",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320703",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Faxen:1987:RSS,
author = "Magnus Faxen",
title = "Remarks at the {Sanibel Symposium, Marineland,
Florida, March 18, 1987}",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "13--14",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320704",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fritsche:1987:TCM,
author = "L. Fritsche",
title = "Theory of condensed matter and new materials",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "15--29",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320705",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Louie:1987:TQE,
author = "Steven G. Louie and Mark S. Hybertsen",
title = "Theory of quasiparticle energies: {Band} gaps and
excitation spectra in solids",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "31--44",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320706",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Padjen:1987:QCD,
author = "R. Padjen and D. Paquet and F. Bonnouvrier",
title = "A quasiparticle calculation of the dispersion curves
of gallium arsenide based on a full {Hartree--Fock}
approximation",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "45--53",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320707",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mancini:1987:PGF,
author = "F. Mancini and M. Marinaro and Y. Nakano",
title = "$n$-{Point} {Green}'s functions in the {Anderson}
model",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "55--64",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320708",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fazzio:1987:PST,
author = "A. Fazzio",
title = "Progress in the study of transition metal impurities
in {III--V} and {II--VI} materials",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "65--72",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320709",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mota:1987:PNU,
author = "Ronaldo Mota and Adalberto Fazzio",
title = "On the possibility of negative {U} systems for
transition metals impurities in semiconductors",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "73--78",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320710",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Csavinszky:1987:DRA,
author = "P. Csavinszky and A. M. Elabsy",
title = "Dielectric response to an acceptor ion in a {Ga$_{1 -
x}$A1$_x$As\slash GaAs\slash Ga$_{1 - x}$A1$_x$As}
quantum well",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "79--87",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320711",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Assali:1987:GSE,
author = "L. V. C. Assali and J. R. Leite",
title = "Ground state electronic properties of {Fe--B} complex
pair in silicon",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "89--97",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320712",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{DaSilva:1987:IHM,
author = "E. Z. {Da Silva} and C. A. Kuhnen",
title = "The influence of hydrogen in the magnetism of
{Pd$_3$Fe}",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "99--103",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320713",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lino:1987:BSS,
author = "A. T. Lino and E. K. Takahashi and J. R. Leite and A.
C. Ferraz",
title = "Band structure of silicon by the self-consistent
variational cellular method",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "105--113",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320714",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Delhalle:1987:PAR,
author = "Joseph Delhalle and Jean-Louis Calais",
title = "Pathological aspects of restricted {Hartree--Fock}
band calculations for metallic chains",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "115--129",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320715",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mintmire:1987:BZT,
author = "J. W. Mintmire and C. T. White",
title = "{Brillouin} zone treatment in total energy
calculations of {Peierls} distorted chains",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "131--136",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320716",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Imamura:1987:PAA,
author = "Akira Imamura and Yuriko Aoki",
title = "Perturbational approach to aperiodicity of polymer
systems",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "137--151",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320717",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Duke:1987:SAC,
author = "C. B. Duke and A. Paton and W. R. Salaneck",
title = "Spectroscopic analysis of the conformations of
polyaniline oligomers",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "153--162",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320718",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lee:1987:EAF,
author = "Yong S. Lee and Miklos Kertesz",
title = "The effect of additional fused rings on the
stabilities and the band gaps of heteroconjugated
polymers",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "163--170",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320719",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Keller:1987:DFT,
author = "Jaime Keller and Eduardo Lude{\~n}a",
title = "Density functional theory formalism",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "171--180",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320720",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tachibana:1987:DFR,
author = "Akitomo Tachibana",
title = "Density functional rationale of chemical reaction
coordinate",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "181--190",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320721",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mezey:1987:RPR,
author = "Paul G. Mezey",
title = "Reflection properties of reaction paths in the reduced
nuclear configuration space",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "191--198",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320722",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Adelman:1987:GLT,
author = "Steven A. Adelman",
title = "Generalized {Langevin} theory for many-body problems
in chemical dynamics: {Explicit} coordinate motion in
molecular solvents",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "199--215",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320723",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jain:1987:SFE,
author = "Arvind Kumar Jain and A. N. Tripathi and Vedene H.
{Smith, Jr.} and Ajit J. Thakkar",
title = "Scattering of fast electrons and {X}-rays from
{CO$_2$} molecules",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "217--227",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320724",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Srivastava:1987:CTC,
author = "Deepak Srivastava and David A. Micha",
title = "Collisional time correlation function approach to the
interaction of light with a polyatomic system",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "229--237",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320725",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Stodden:1987:GWF,
author = "C. D. Stodden and D. A. Micha",
title = "Generating wave functions from classical trajectory
calculations: {The} divergence of streamlines",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "239--244",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320726",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Blum:1987:KCT,
author = "L. Blum and M. Quijada and P. P. Schmidt",
title = "Kinetics of charge transfer at metal electrolyte
interfaces: {From} classical to quantum statistics",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "245--249",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320727",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Inokuti:1987:TED,
author = "Mitio Inokuti and Michael A. Dillon and Mineo
Kimura",
title = "Theory of electron degradation and yields of initial
molecular species produced by ionizing radiation",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "251--266",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320728",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sosa:1987:ICH,
author = "Carlos Sosa and H. Bernhard Schlegel",
title = "Ab initio calculations on {H $+$ C$_2$H$_2$
$\rightarrow$ C$_2$H$_3$} using unrestricted
{M{\o}ller--Plesset} perturbation theory with spin
projection",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "267--282",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320729",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Feng:1987:TAP,
author = "Jikang Feng and Xuehe Zheng and Michael C. Zerner",
title = "A theoretical analysis of photoaddition reactions of
hydroxylazoaromatic compounds and the related thione
analogs with olefins",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "283--295",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320730",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Manson:1987:EEC,
author = "Steven T. Manson and John H. Miller",
title = "Electron ejection cross sections in electron and ion
impact ionization: {Ab} initio and semiempirical
calculations",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "297--306",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320731",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Nogueira:1987:SRT,
author = "Jos{\'e} Carlos Nogueira and Jos{\'e} Eduardo
Chaguri",
title = "Semiempirical relationship for the total cross section
for electron scattering in atoms and molecules",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "307--311",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320732",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rips:1987:ETM,
author = "Ilya Rips and Joshua Jortner",
title = "Electron transfer in a microscopically inhomogeneous
medium",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "313--319",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320733",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Deumens:1987:DAE,
author = "E. Deumens and Y. {\"O}hrn and L. Lathouwers",
title = "A dynamical approach to electron transfer reactions",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "321--339",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320734",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mikkelsen:1987:ETR,
author = "Kurt V. Mikkelsen and Mark A. Ratner",
title = "Electron transfer reactions dynamically coupled to a
dielectric medium: {Orientational} effects and bridge
assistance",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "341--354",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320735",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mola:1987:TCC,
author = "E. E. Mola and J. L. Vicente",
title = "Theoretical calculation of the capacity of an
electrode\slash liquid electrolyte interface",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "355--362",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320736",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ritchie:1987:LRI,
author = "R. H. Ritchie and J. R. Manson",
title = "Long-range interactions between probes, particles, and
surfaces",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "363--375",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320737",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lefebvre:1987:CPD,
author = "R. Lefebvre and M. Garcia-Sucre",
title = "Complex perturbation and deperturbation procedures
applied to photofragmentation cross-section
calculations",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "377--387",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320738",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gianturco:1987:RPD,
author = "F. A. Gianturco and G. Delgado-Barrio and O. Roncero
and P. Villarreal",
title = "Rotational predissociation dynamics in weakly bound
molecular systems: {The ArN$_2$} and {ArO$_2$}
examples",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "389--405",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320739",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lohr:1987:CDM,
author = "Lawrence L. Lohr",
title = "Centrifugal distortions in molecules: {An} ab initio
approach with application to water",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "407--415",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320740",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ishikawa:1987:SID,
author = "Yasuyuki Ishikawa and Wilfredo Rodriguez and S. A.
Alexander",
title = "Solution of the integral {Dirac} equation in momentum
space",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "417--423",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320741",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Delhalle:1987:TFN,
author = "Joseph Delhalle and Mireille Defranceschi",
title = "Toward fully numerical evaluation of momentum space
{Hartree--Fock} wave functions. {Numerical} experiments
on the {He} atom",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "425--433",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320742",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Casida:1987:HFE,
author = "Mark E. Casida and John E. Harriman and James L.
Anchell",
title = "The {Husimi} function for electron distributions",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "435--456",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320743",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Beck:1987:EAS,
author = "Donald R. Beck and Ziyong Cai and George
Aspromallis",
title = "Electron affinities of states of {Sc} and {Cu}",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "457--468",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320744",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ortiz:1987:AEP,
author = "J. V. Ortiz",
title = "Applying electron propagator theory to electron
affinities",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "469--473",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320745",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Geertsen:1987:CSS,
author = "Jan Geertsen and Jens Oddershede and Gustavo E.
Scuseria",
title = "Calculation of spectra and spin--spin coupling
constants using a coupled--cluster polarization
propagator method",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "475--485",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320746",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sekino:1987:CCE,
author = "Hideo Sekino and Rodney J. Bartlett",
title = "Coupled-cluster evaluation of geometrical derivatives
of properties using nonrelaxed orbitals",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "487--493",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320747",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Scuseria:1987:AEE,
author = "Gustavo E. Scuseria and Andrew C. Scheiner and Julia
E. Rice and Timothy J. Lee and Henry F. {Schaefer III}",
title = "Analytic evaluation of energy gradients for the single
and double excitation coupled cluster ({CCSD}) wave
function: {A} comparison with configuration interaction
({CCSD}, {CISDT}, and {CISDTQ}) results for the
harmonic vibrational frequencies, infrared intensities,
dipole moment, and inversion barrier of ammonia",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "495--501",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320748",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Williamson:1987:GOO,
author = "Rodney L. Williamson and Michael B. Hall",
title = "Geometry optimization of organometallic complexes: {A}
study of basis sets",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "503--512",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320749",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Guldberg:1987:NSG,
author = "Annette Guldberg and Sten Rettrup and Gian Luigi
Bendazzoli and Paolo Palmieri",
title = "A new symmetric group program for direct configuration
interaction studies of molecules",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "513--521",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320750",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ishikawa:1987:UEN,
author = "Yasuyuki Ishikawa and H. M. Quiney",
title = "On the use of an extended nucleus in {Dirac--Fock}
{Gaussian} basis set calculations",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "523--532",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320751",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pauncz:1987:SPO,
author = "R. Pauncz and B. Kirtman and W. E. Palke",
title = "Studies in the paired orbital method. {I}",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "533--538",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320752",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kilzer:1987:ESP,
author = "Patricia A. Kilzer and Henry A. Kurtz",
title = "Excited state properties utilizing effective core
potentials",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "539--545",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320753",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Deak:1987:PSR,
author = "Peter De{\'a}k and Lawrence C. Snyder",
title = "A possible solution to the rotational invariance and
silicon parameter problem in the {MNDO} approximation",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "547--554",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320754",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Natiello:1987:SCA,
author = "Mario A. Natiello and Erkki J. Bra{\"a}ndas and
Alejandro R. Engelmann",
title = "Some comments on the alteration of the {Coulomb} bound
states by a barrier perturbation",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "555--562",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320755",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cioslowski:1987:SCM,
author = "J. Cioslowski",
title = "A study of the connected moments expansions for the
correlation energy via an exactly soluble problem",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "563--567",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320756",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Yamabe:1987:EVC,
author = "Tokio Yamabe and Yoshihiro Asai",
title = "Effect of vibronic coupling on the long range
intermolecular interaction",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "569--572",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320757",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Landman:1987:ELC,
author = "Uzi Landman and R. N. Barnett and C. L. Cleveland and
Dafna Scharf and Joshua Jortner",
title = "Electron localization in clusters",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "573--587",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320758",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kovacevic:1987:HSA,
author = "K. Kova{\v{c}}evi{\'c} and A. Graovac and D.
Babi{\'c}",
title = "On the hybridization in some {Archimedean} carbon
clusters",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "589--593",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320759",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Muller-Plathe:1987:PBM,
author = "Florian M{\"u}ller-Plathe and Geerd H. F. Diercksen",
title = "Properties of the {BCl} molecule studied by
fourth-order many-body perturbation theory",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "595--602",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320760",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Brown:1987:ISH,
author = "Richard E. Brown and G. David Mendenhall and Rodney J.
Bartlett",
title = "Ab initio studies of hyponitrous acid",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "603--612",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320761",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jaworski:1987:SCD,
author = "Andrzej Jaworski and Willis B. Person and Ludwik
Adamowicz and Rodney J. Bartlett",
title = "Study of the conformation of the dilithioacetylene
molecule",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "613--621",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320762",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kaufman:1987:IMCb,
author = "Joyce J. Kaufman and P. C. Hariharan and Phillip B.
Keegstra",
title = "Ab initio {MRD--CI} calculations for the propagation
step of cationic polymerization of oxetanes based on
localized orbitals",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "623--643",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320763",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sokalski:1987:CIM,
author = "W. A. Sokalski and P. C. Hariharan and Joyce J.
Kaufman",
title = "Comparison of ab initio {MODPOT} interaction energy
components against large basis set {MBPT(4)}
calculations for nitromethane dimer",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "645--660",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320764",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Saito:1987:IMS,
author = "Minoru Saito and Hiroshi Kashiwagi",
title = "Ab initio {MO} study of {Fe} out-of-plane displacement
and {Fe}-ligand vibration in five-coordinate
{Fe}-porphyrin",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "661--668",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320765",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fink:1987:BSR,
author = "William H. Fink",
title = "Basis sets and restricted {Hartree--Fock}
instabilities in thiocarbonyls",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "669--676",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320766",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Largo-Cabrerizo:1987:HCI,
author = "A. Largo-Cabrerizo and C. Urdaneta and G. C. Lie and
E. Clementi",
title = "The {Hylleraas--CI} integrals in molecular,
calculations. {II}. {Three}-and four-electron integrals
and tests for two-electron many-center integrals",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "677--692",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320767",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jones:1987:MLF,
author = "H. W. Jones and B. Bussery and C. A. Weatherford",
title = "An ``{$E$} matrix'' for the {L{\"o}wdin} $\alpha$
function, expanded in a {Taylor} series: an analytic
treatment of molecular charge density near the origin",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "693--698",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320768",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Masson:1987:SEC,
author = "David R. Masson",
title = "{Schr{\"o}dinger}'s equation and continued fractions",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "699--712",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320769",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Matsen:1987:FUG,
author = "F. A. Matsen",
title = "The freeon unitary group procedure and the structure
of matter",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "713--728",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320770",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Palma:1987:CFO,
author = "A. Palma and L. Sandoval and J. Morales",
title = "Closed formulas for one- and two-center harmonic
oscillator integrals",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "729--735",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320771",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cvitas:1987:PSS,
author = "T. Cvita{\v{s}} and I. Novak and L. Klasinc",
title = "Photoelectron spectra of some compounds containing the
trifluoromethyl group",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "737--742",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320772",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Yuan:1987:TGS,
author = "J. M. Yuan and Yan Gu",
title = "Transition to global stochasticity in a driven {Morse}
oscillator",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "743--748",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320773",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kumicak:1987:AEL,
author = "Juraj Kumi{\v{c}}{\'a}k and Erkki Br{\"a}ndas",
title = "Approach to equilibrium and {Lyapunov} converters",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "749--750",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320774",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Vrscay:1987:RSPb,
author = "Edward R. Vrscay",
title = "{Rayleigh--Schr{\"o}dinger} perturbation expansions
for a hydrogen atom in a polynomial perturbation",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "751--751",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320775",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Contreras:1987:QCC,
author = "Renato R. Contreras and Arie Aizman and Demian Morales
and Maria E. Llanos",
title = "Quantum chemical calculations on ion pairs. {II}.
{Structure} of haloacetic acids in aqueous solution",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "753--754",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320776",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bessis:1987:EPM,
author = "Daniel Bessis and Carlos R. Handy and T. Morley",
title = "An exact projection method for the lowest eigenstate
of singular multidimensional {Schr{\"o}dinger}
equations",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "755--755",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320777",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cizek:1987:RIP,
author = "Ji{\v{r}}{\'\i} {\v{C}}{\'\i}{\v{z}}ek and Francine
Vinette and Edward R. Vrscay",
title = "Renormalized inner projection, symbolic computation,
and {L{\"o}wdin} rational approximants in explicit
form",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "757--758",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320778",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Canuto:1987:MBS,
author = "Sylvio Canuto and Geerd H. F. Diercksen",
title = "Many-body studies of the structure and spectra of
{CO$_3$}",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "759--760",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320779",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mintmire:1987:PRL,
author = "J. W. Mintmire",
title = "Preliminary report on a local-density functional study
of polysilane chains",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "761--762",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320780",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kwiatkowski:1987:ETS,
author = "J{\'o}zef S. Kwiatkowski and Willis B. Person and
Krystyna Szczepaniak and Marian Szcze{\'s}niak",
title = "Experimental and theoretical studies of the
stabilities and infrared spectra of the cytosine
tautomers",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "763--764",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320781",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Person:1987:ETS,
author = "Willis B. Person and Krystyna Szczepaniak and Marian
Szczesniak and Jozef S. Kwiatkowski and Luis Hernandez",
title = "Experimental and theoretical studies of tautomers of
nucleic acid bases",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "765--766",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320782",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1987:Mn,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "32",
number = "S21",
pages = "fmi--fmi",
day = "12",
month = mar,
year = "1987",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560320701",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:48:38 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Supplement: Proceedings of the International Symposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Csaszar:1988:VFA,
author = "P{\'a}l Cs{\'a}sz{\'a}r and L{\'a}szl{\'o}
Hars{\'a}nyi and James E. Boggs",
title = "Vibrational frequencies and assignments for some
isotopomers of urcail using a scaled ab initio force
field",
journal = j-IJQC,
volume = "33",
number = "1",
pages = "1--17",
month = jan,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330102",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Weatherford:1988:AMT,
author = "Charles A. Weatherford",
title = "An analytic method for three-center nuclear attraction
integrals: a generalization of the {Gegenbauer}
addition theorem",
journal = j-IJQC,
volume = "33",
number = "1",
pages = "19--26",
month = jan,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330103",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Banerjee:1988:DSS,
author = "Ajit Banerjee",
title = "Discrete spatial symmetries: {Redundant} coordinates
and search for stationary points in reduced spaces",
journal = j-IJQC,
volume = "33",
number = "1",
pages = "27--40",
month = jan,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330104",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Parra-Mouchet:1988:SCR,
author = "Julia Parra-Mouchet and Renato R. Contreras and Arie
Aizman",
title = "Self-consistent reaction field calculations on the
proton transfer in ammonia-formic acid systems as a
model for hydrogen bonding in amino acids in solution",
journal = j-IJQC,
volume = "33",
number = "1",
pages = "41--52",
month = jan,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330105",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Casida:1988:UIB,
author = "Mark E. Casida",
title = "Use of invariants in bounding 2-fermion reduced
density matrix eigenvalues",
journal = j-IJQC,
volume = "33",
number = "1",
pages = "53--60",
month = jan,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330106",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bayard:1988:SPR,
author = "F. Bayard and C. Decoret and J. Royer and Y. G.
Smeyers and J. J. Randez",
title = "Study of a possible reaction pathway in the
polymorphic transformation of diacetamide",
journal = j-IJQC,
volume = "33",
number = "1",
pages = "61--68",
month = jan,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330107",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:Ma,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "33",
number = "1",
pages = "fmi--fmii",
month = jan,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330101",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:55 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sapse:1988:CPA,
author = "A. M. Sapse and Duli C. Jain",
title = "The complexes of phenyl acetylene with {HF}, {H$_2$O},
and {NH$_3$}: {An} ab initio study",
journal = j-IJQC,
volume = "33",
number = "2",
pages = "69--76",
month = feb,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330202",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gonzalez-Lafont:1988:API,
author = "A. Gonz{\'a}lez-Lafont and J. M. Lluch and A. Oliva
and J. Bertr{\'a}n",
title = "Analytical potential from ab initio calculations for
the {Fe$^+$--H$_2$O} and {Fe$^0$-H$_2$O} systems",
journal = j-IJQC,
volume = "33",
number = "2",
pages = "77--85",
month = feb,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330203",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Boerrigter:1988:TDN,
author = "P. M. Boerrigter and G. Te Velde and J. E. Baerends",
title = "Three-dimensional numerical integration for electronic
structure calculations",
journal = j-IJQC,
volume = "33",
number = "2",
pages = "87--113",
month = feb,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330204",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{El-Issa:1988:ESE,
author = "B. D. El-Issa and M. A. Makhyoun and B. A. Salsa'",
title = "Excited state electron density differentials: a new
technique for studying {HOMO} \slash {LUMO}
excitations",
journal = j-IJQC,
volume = "33",
number = "2",
pages = "115--125",
month = feb,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330205",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Eisenstein:1988:SDD,
author = "M. Eisenstein",
title = "{SCF} {Deformation} densities and electrostatic
potentials of purines and pyrimidines",
journal = j-IJQC,
volume = "33",
number = "2",
pages = "127--158",
month = feb,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330206",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Boca:1988:IREa,
author = "Roman Bo{\v{c}}a",
title = "Inclusion of relativistic effects into {ZDO} methods.
{II}. {Solavation} of metal complexes",
journal = j-IJQC,
volume = "33",
number = "2",
pages = "159--167",
month = feb,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330207",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:Aa,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "33",
number = "2",
pages = "169--169",
month = feb,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330208",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Vekantchalam:1988:E,
author = "C. M. Vekantchalam and D. W. Urry",
title = "Erratum",
journal = j-IJQC,
volume = "33",
number = "2",
pages = "171--171",
month = feb,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330209",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:Mb,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "33",
number = "2",
pages = "fmi--fmii",
month = feb,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330201",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Handler:1988:EHE,
author = "George S. Handler",
title = "The energy of the homogeneous electron gas to second
order",
journal = j-IJQC,
volume = "33",
number = "3",
pages = "173--175",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330302",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Head:1988:SOP,
author = "John D. Head and Brain Weiner and Michael C. Zerner",
title = "A survey of optimization procedures for stable
structures and transition states",
journal = j-IJQC,
volume = "33",
number = "3",
pages = "177--186",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330303",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Stamato:1988:ISC,
author = "Fulvia M. L. G. Stamato and O. Tapia",
title = "Ab initio studies on the catalytic mechanism of ester
hydroloysis by serine proteases",
journal = j-IJQC,
volume = "33",
number = "3",
pages = "187--194",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330304",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{El-Issa:1988:CSB,
author = "B. D. El-Issa and A. Katrib and R. Ghodsian and B. A.
Salsa' and S. H. Addassi",
title = "A comparative study of the bonding in different
halides of iridium",
journal = j-IJQC,
volume = "33",
number = "3",
pages = "195--216",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330305",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Berggren:1988:QPS,
author = "K.-F. Berggren",
title = "Quantum phenomena in small semiconductor structures
and devices",
journal = j-IJQC,
volume = "33",
number = "3",
pages = "217--245",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330306",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Golebiewski:1988:NCB,
author = "A. Go{\l}{\k{e}}biewski and E. Broclawik and M.
Witko",
title = "New concepts in bonded functions theory {II}.
{Canonical} set of high internal symmetry",
journal = j-IJQC,
volume = "33",
number = "3",
pages = "247--262",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330307",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Natiello:1988:BRB,
author = "Mario A. Natiello",
title = "Book Review: {{\booktitle{Intermediate physical
chemistry: Stationary properties of chemical systems}}.
By Joseph B. Dence and J. Diestler, John Wiley \& Sons,
New York, 1987}",
journal = j-IJQC,
volume = "33",
number = "3",
pages = "263--263",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330308",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Dence:1987:IPC}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:Mc,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "33",
number = "3",
pages = "fmi--fmii",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330301",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Csavinszky:1988:CPW,
author = "P. Csavinszky",
title = "Comparison of the {Perdew--Wang} exchange with the
{Dirac} exchange",
journal = j-IJQC,
volume = "33",
number = "4",
pages = "265--269",
month = apr,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330402",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sellers:1988:VED,
author = "Harrell Sellers",
title = "Variational energy derivatives and perturbation
theory",
journal = j-IJQC,
volume = "33",
number = "4",
pages = "271--277",
month = apr,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330403",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Macias:1988:PSU,
author = "A. Mac{\'\i}as and F. Mart{\'\i}n and A. Riera and M.
Y{\'a}a{\~n}ez",
title = "A practical solution to the ``unknown normalization''
problem",
journal = j-IJQC,
volume = "33",
number = "4",
pages = "279--300",
month = apr,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330404",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{March:1988:DDT,
author = "N. H. March and J. Cizek",
title = "Dimensionality dependence of total energy of closed
shells in a bare {Coulomb} field for large atomic
number",
journal = j-IJQC,
volume = "33",
number = "4",
pages = "301--304",
month = apr,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330405",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lewis:1988:MOC,
author = "David F. V. Lewis",
title = "Molecular orbital calculations on tumor-inhibitory
nitrosoureas: {QSARs}",
journal = j-IJQC,
volume = "33",
number = "4",
pages = "305--321",
month = apr,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330406",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Largo-Cabrerizo:1988:CEL,
author = "A. Largo-Cabrerizo and J. Largo-Cabrerizo",
title = "Correlation effects at a local level and {CI}
partitions: 2$^3$ {S State} of helium",
journal = j-IJQC,
volume = "33",
number = "4",
pages = "323--326",
month = apr,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330407",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Krasnogolovets:1988:MBFa,
author = "V. V. Krasnogolovets and N. A. Protsenko and P. M.
Tomchuk and V. S. Guriev",
title = "The mechanism of bacteriorhodopsin functioning. {I}.
{The} light-induced proton throw-over by retinal",
journal = j-IJQC,
volume = "33",
number = "4",
pages = "327--347",
month = apr,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330408",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Krasnogolovets:1988:MBFb,
author = "V. V. Krasnogolovets and N. A. Protsenko and P. M.
Tomchuk",
title = "The mechanism of bacteriorhodopsin functioning. {II}.
{Ejection} and injection of proton",
journal = j-IJQC,
volume = "33",
number = "4",
pages = "349--367",
month = apr,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330409",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:Ab,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "33",
number = "4",
pages = "369--369",
month = apr,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330410",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:Ac,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "33",
number = "4",
pages = "371--371",
month = apr,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330411",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:Md,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "33",
number = "4",
pages = "fmi--fmii",
month = apr,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330401",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cullen:1988:EPV,
author = "John M. Cullen and Michael C. Zerner",
title = "An examination of perturbation--variational theory and
scaling at fifth order",
journal = j-IJQC,
volume = "33",
number = "5",
pages = "373--394",
month = may,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330502",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lima:1988:CDM,
author = "Eneida G. Lima and Sylvio Canuto",
title = "A comparison of different many-body perturbation
theory calculations of the ground state of {SiS}",
journal = j-IJQC,
volume = "33",
number = "5",
pages = "395--401",
month = may,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330503",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hubac:1988:QCV,
author = "Ivan Huba{\v{c}} and Michal Svr{\v{c}}ek",
title = "The quasiparticle concept in vibrational--electronic
problems in molecules. {I}. {Partitioning} of the
vibrational--electronic {Hamiltonian}",
journal = j-IJQC,
volume = "33",
number = "5",
pages = "403--443",
month = may,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330504",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Meyer:1988:CLI,
author = "J. Meyer",
title = "Construction of linearly independent relativistic
symmetry orbitals for finite double-point groups
including time reversal symmetry",
journal = j-IJQC,
volume = "33",
number = "5",
pages = "445--465",
month = may,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330505",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{TenHoor:1988:HFG,
author = "Marten J. {Ten Hoor}",
title = "The {Hartree--Fock} ground state of atomic
two-electron systems and the {Wilson--Silverstone} $1s$
orbital",
journal = j-IJQC,
volume = "33",
number = "5",
pages = "467--475",
month = may,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330506",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:Ad,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "33",
number = "5",
pages = "477--477",
month = may,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330507",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:Ae,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "33",
number = "5",
pages = "479--479",
month = may,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330508",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:Me,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "33",
number = "5",
pages = "fmi--fmii",
month = may,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330501",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lim:1988:RDD,
author = "Tiong-Koon Lim",
title = "On the resolution of a double determinant",
journal = j-IJQC,
volume = "33",
number = "6",
pages = "483--489",
month = jun,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330602",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Maranon:1988:PIF,
author = "Julio Mara{\~n}{\'o}n",
title = "Path integral formulation of {Roothaan}'s equations",
journal = j-IJQC,
volume = "33",
number = "6",
pages = "491--496",
month = jun,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330603",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cullen:1988:FOC,
author = "J. M. Cullen",
title = "Fifth-order constant denominator perturbation therory
within a localized bond model: {Contributions} from
single and double excitations",
journal = j-IJQC,
volume = "33",
number = "6",
pages = "497--527",
month = jun,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330604",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tian:1988:ECP,
author = "Bogang Tian and Guozhen Wu",
title = "{EHMO} {Calculations} for a pyridine molecule adsorbed
on a {Ag} adatom: {Implications} for surface enhanced
{Raman} spectroscopy",
journal = j-IJQC,
volume = "33",
number = "6",
pages = "529--542",
month = jun,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330605",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dmitriev:1988:APT,
author = "Yuri Yu. Dmitriev and Olga V. Solnyshkina",
title = "Adiabatic perturbation theory for the degenerate case.
{III}. {Adiabatic} formalism by {Gell-Mann} and low
with an arbitrary switching function",
journal = j-IJQC,
volume = "33",
number = "6",
pages = "543--553",
month = jun,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330606",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mohallem:1988:CGE,
author = "Jos{\'e} R. Mohallem and Milan Trsic",
title = "Considerations on {Gaussian} expanded generator
coordinate wave functions",
journal = j-IJQC,
volume = "33",
number = "6",
pages = "555--561",
month = jun,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330607",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{TenHoor:1988:HTC,
author = "Marten J. {Ten Hoor}",
title = "{Hall} transformation of {$\exp(-r)$}: {Correction} of
the results",
journal = j-IJQC,
volume = "33",
number = "6",
pages = "563--566",
month = jun,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330608",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Iwaki:1988:ICR,
author = "Hiroaki Iwaki and Takeshi Noro and Kimio Ohno",
title = "Ab-initio calculation of resonance states of
{H$_2$O}",
journal = j-IJQC,
volume = "33",
number = "6",
pages = "567--576",
month = jun,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330609",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Calais:1988:BRB,
author = "Jean-Louis Calais",
title = "Book Review: {{\booktitle{Molecular magnetism}}. By A.
Hinchliffe and R. W. Mum, John Wiley \& Sons,
Chichester, 1985}",
journal = j-IJQC,
volume = "33",
number = "6",
pages = "577--577",
month = jun,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330610",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Hinchliffe:1985:ME}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tapia:1988:BRB,
author = "O. Tapia",
title = "Book Review: {{\booktitle{Theoretical chemistry of
biological systems}}. Edited by G. N{\'a}ray-Szab{\'o},
Elsevier, Amsterdam, 1986}",
journal = j-IJQC,
volume = "33",
number = "6",
pages = "579--579",
month = jun,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330611",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Naray-Szabo:1986:TCB}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:PA,
author = "Anonymous",
title = "Preliminary {Announcement}",
journal = j-IJQC,
volume = "33",
number = "6",
pages = "581--581",
month = jun,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330612",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Conrad:1988:E,
author = "Michael Conrad",
title = "Erratum",
journal = j-IJQC,
volume = "33",
number = "6",
pages = "583--584",
month = jun,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330613",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ritchie:1988:E,
author = "R. H. Ritchie and J. R. Manson",
title = "Erratum",
journal = j-IJQC,
volume = "33",
number = "6",
pages = "585--585",
month = jun,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330614",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:Mf,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "33",
number = "6",
pages = "fmi--fmii",
month = jun,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560330601",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:56 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Proinov:1988:CTA,
author = "E. Proinov and N. Neshey and A. Andreev",
title = "The concept of the topological atom within the
{MO--LCAO} approach. {II}. {On} the nature of the
nephelauxetic effect",
journal = j-IJQC,
volume = "34",
number = "1",
pages = "1--8",
month = jul,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340102",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jiang:1988:SPG,
author = "X. Q. Jiang and B. Y. Jin and Z. H. Zeng and C. C. Sun
and A. J. Coleman",
title = "The sequential product of geminals and the ground
states of some atoms",
journal = j-IJQC,
volume = "34",
number = "1",
pages = "9--14",
month = jul,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340103",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jin:1988:SPG,
author = "B. Y. Jin and X. Q. Jiang and Z. H. Zeng and C. C. Sun
and A. J. Coleman",
title = "A sequential product of geminals and its
applications",
journal = j-IJQC,
volume = "34",
number = "1",
pages = "15--23",
month = jul,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340104",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{McWeeny:1988:SFF,
author = "Roy McWeeny",
title = "A spin-free form of valence bond theory",
journal = j-IJQC,
volume = "34",
number = "1",
pages = "25--36",
month = jul,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340105",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tewari:1988:TSC,
author = "Ravindra Tewari",
title = "Theoretical studies on conformational preferences of
model modified nucleic acid base
{N$^6$}-({N}-alanylcarbonyl) adenine",
journal = j-IJQC,
volume = "34",
number = "1",
pages = "37--46",
month = jul,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340106",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ramirez:1988:COA,
author = "Rafael Ram{\'\i}rez and Michael C. B{\"o}hm",
title = "A {Crystal Orbital} approach for two- and
three-dimensional solids on the basis of {CNDO \slash
INDO Hamiltonians}. {Basis} equations",
journal = j-IJQC,
volume = "34",
number = "1",
pages = "47--71",
month = jul,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340107",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ramirez:1988:TDB,
author = "Rafael Ram{\'\i}rez and Michael C. B{\"o}hm",
title = "The two-dimensional band structure of
{(polyphthalocyaninato)Ni(II)}",
journal = j-IJQC,
volume = "34",
number = "1",
pages = "73--84",
month = jul,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340108",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tostes:1988:RPF,
author = "J. G. R. Tostes and C. A. Taft and M. N. Ramos and W.
A. {Lester, Jr.}",
title = "Role of polarization functions on the bridge hydrogen
atom in {HCN$\cdot$HCN}",
journal = j-IJQC,
volume = "34",
number = "1",
pages = "85--86",
month = jul,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340109",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ratner:1988:BRB,
author = "Mark Ratner",
title = "Book Review: {{\booktitle{Solid state
chemistry---techniques}}. By A. K. Cheetham and P. Day,
Editors, Clarendon, Oxford, 1987}",
journal = j-IJQC,
volume = "34",
number = "1",
pages = "87--87",
month = jul,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340110",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Cheetham:1992:SSC}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ishida:1988:E,
author = "Kazuhiro Ishida",
title = "Erratum",
journal = j-IJQC,
volume = "34",
number = "1",
pages = "89--90",
month = jul,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340111",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:Mg,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "34",
number = "1",
pages = "fmi--fmii",
month = jul,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340101",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{LopezDeCompadre:1988:RHA,
author = "Rosa L. {Lopez De Compadre} and Alan J. Shusterman and
Corwin Hansch",
title = "The role of hydrophobicity in the {Ames} test. {The}
correlation of the mutagenicity of nitropolycyclic
hydrocarbons with partition coefficients and molecular
orbital indices",
journal = j-IJQC,
volume = "34",
number = "2",
pages = "91--101",
month = aug,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340202",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Koga:1988:LIW,
author = "Toshikatsu Koga and Ajit J. Thakkar",
title = "Linear integrability of wave functions",
journal = j-IJQC,
volume = "34",
number = "2",
pages = "103--106",
month = aug,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340203",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Purdela:1988:RPT,
author = "D. Purdela",
title = "A regular periodic table of the elements and its
quantum mechanical requirement",
journal = j-IJQC,
volume = "34",
number = "2",
pages = "107--119",
month = aug,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340204",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rico:1988:SES,
author = "J. Fern{\'a}ndez Rico and R. L{\'o}apez and G.
Ram{\'\i}arez",
title = "Simplified expansion of {Slater} orbitals about
displaced centers",
journal = j-IJQC,
volume = "34",
number = "2",
pages = "121--131",
month = aug,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340205",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tewari:1988:CPM,
author = "Ravindra Tewari",
title = "Conformational preferences of modified nucleic acid
bases {N$^6$-($\Delta^2$-isopentenyl)} adenine and
2-methylthio-{N$^6$-($\Delta^2$-isopentenyl)} adenine
by the quantum chemical {PCILO} calculations",
journal = j-IJQC,
volume = "34",
number = "2",
pages = "133--142",
month = aug,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340206",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Besnainou:1988:NDM,
author = "S. Besnainou",
title = "Nonlinear dynamics of a model hydrogen bond",
journal = j-IJQC,
volume = "34",
number = "2",
pages = "143--160",
month = aug,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340207",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pernot:1988:RDV,
author = "P. Pernot and O. Atabek and J. A. Beswick and B.
Levy",
title = "Reduced-diabatic vibrational close coupled treatment
of molecular dissociation dynamics",
journal = j-IJQC,
volume = "34",
number = "2",
pages = "161--184",
month = aug,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340208",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Maroulis:1988:CTD,
author = "George Maroulis",
title = "Control over theoretical descriptions of atoms and
molecules. {An} information theoretic approach to the
automatic classification and systematic improvement of
approximate wave functions",
journal = j-IJQC,
volume = "34",
number = "2",
pages = "185--190",
month = aug,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340209",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:Af,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "34",
number = "2",
pages = "191--192",
month = aug,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340210",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:SA,
author = "Anonymous",
title = "Second announcement",
journal = j-IJQC,
volume = "34",
number = "2",
pages = "193--193",
month = aug,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340211",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ishida:1988:SCD,
author = "Kazuhiro Ishida",
title = "Spin and charge densities from
{Hiller--Sucher--Feinberg} identities. {Test}
calculations for {He}, {B}, {C}, {N}, {O}, and {F}
atoms and {H$_2$O}, {N$_2$}, and {CH$_3$} molecules",
journal = j-IJQC,
volume = "34",
number = "2",
pages = "195--197",
month = aug,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340212",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:Mh,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "34",
number = "2",
pages = "fmi--fmii",
month = aug,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340201",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jayasuriya:1988:CAO,
author = "Keerthi Jayasuriya and Sury Iyer",
title = "A computational analysis of ortho-lithiation in
aromatic systems",
journal = j-IJQC,
volume = "34",
number = "3",
pages = "199--206",
month = sep,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340302",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Richard:1988:FED,
author = "Ann M. Richard and James R. Rabinowitz",
title = "Further evaluation and development of charge
similarity indices for choosing molecular analogues",
journal = j-IJQC,
volume = "34",
number = "3",
pages = "207--216",
month = sep,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340303",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cioslowski:1988:GPA,
author = "J. Cioslowski",
title = "The generalized {Pad{\'e}} approximants and chemical
graph theory",
journal = j-IJQC,
volume = "34",
number = "3",
pages = "217--224",
month = sep,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340304",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cioslowski:1988:ETE,
author = "J. Cioslowski and D. Bessis",
title = "Extrapolation of the total energy of polymers to the
bulk limit using generalized {Pad{\'e}} approximants",
journal = j-IJQC,
volume = "34",
number = "3",
pages = "225--229",
month = sep,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340305",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Baykara:1988:ECS,
author = "N. A. Baykara and M. Demiralp",
title = "Eigenlevel calculations for screened {Coulomb}
potential systems via an integration-free algorithm:
{Space} pruning technique",
journal = j-IJQC,
volume = "34",
number = "3",
pages = "231--245",
month = sep,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340306",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Holas:1988:IES,
author = "A. Holas and H. Dzia{\l}ak and S. Olszewski",
title = "Interaction energy in small {$N$}-particle systems and
the permutation group",
journal = j-IJQC,
volume = "34",
number = "3",
pages = "247--266",
month = sep,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340307",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pacios:1988:CVP,
author = "L. Fernandez Pacios and P. Gomez Calzada",
title = "Core\slash valence partition and relativistic effects
in effective potentials for transition metals",
journal = j-IJQC,
volume = "34",
number = "3",
pages = "267--277",
month = sep,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340308",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jankowski:1988:IEC,
author = "K. Jankowski and P. Malinowski and A. Soko{\l}owski",
title = "Intershell $nl4f$ electron correlation effects",
journal = j-IJQC,
volume = "34",
number = "3",
pages = "279--288",
month = sep,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340309",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Holleboom:1988:NEO,
author = "L. J. Holleboom and J. G. Snijders and E. J.
Baerends",
title = "Natural energy orbitals and the one-particle {Green}'s
function",
journal = j-IJQC,
volume = "34",
number = "3",
pages = "289--300",
month = sep,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340310",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hall:1988:CCS,
author = "George G. Hall",
title = "{C. A. Coulson} and the surface energy of metals: a
further comment",
journal = j-IJQC,
volume = "34",
number = "3",
pages = "301--304",
month = sep,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340311",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:Ag,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "34",
number = "3",
pages = "305--305",
month = sep,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340312",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kryachko:1988:MLS,
author = "Eugene S. Kryachko and Ivan Zh. Petkov and Mario V.
Stoitsov",
title = "Method of local-scaling transformations and density
functional theory in quantum chemistry. {III}. {The}
energy density functional: {Spin}-restricted approach",
journal = j-IJQC,
volume = "34",
number = "3",
pages = "307--307",
month = sep,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340313",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:Mi,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "34",
number = "3",
pages = "fmi--fmii",
month = sep,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340301",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tachibana:1988:SWD,
author = "Akitomo Tachibana",
title = "Shape wave in density functional theory",
journal = j-IJQC,
volume = "34",
number = "4",
pages = "309--323",
month = oct,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340402",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zhou:1988:GTM,
author = "Zhongxiang Zhou",
title = "Graph theory of molecular orbitals beyond
tight-binding approximation",
journal = j-IJQC,
volume = "34",
number = "4",
pages = "325--332",
month = oct,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340403",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zivkovic:1988:PHS,
author = "T. P. {\v{Z}}ivkovi{\'c}",
title = "Particle-hole symmetry and complementary quantum
systems",
journal = j-IJQC,
volume = "34",
number = "4",
pages = "333--359",
month = oct,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340404",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tyutyulkov:1988:SPN,
author = "N. N. Tyutyulkov and C. I. Ivanov and I. Schopov and
O. E. Polansky and G. Olbrich",
title = "Structure and properties of nonclassical polymers.
{VII}. {Polymers} with heteroatoms",
journal = j-IJQC,
volume = "34",
number = "4",
pages = "361--373",
month = oct,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340405",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Moscardo:1988:EMS,
author = "Federico Moscard{\'o} and Ram{\'o}n Andarias and
Emilio San-Fabi{\'a}n",
title = "Estimation of minima in {$^1$A$_1$} states of the
ozone molecule",
journal = j-IJQC,
volume = "34",
number = "4",
pages = "375--383",
month = oct,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340406",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Boca:1988:IREb,
author = "Roman Bo{\v{c}}a",
title = "Inclusion of relativistic effects into {ZDO} methods.
{III}. {A}. {Quasi}-relativistic {INDO/1} version",
journal = j-IJQC,
volume = "34",
number = "4",
pages = "385--399",
month = oct,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340407",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tellinghuisen:1988:NCC,
author = "Joel Tellinghuisen",
title = "Numerical comparison of the {Cooley} and {Kobeissi}
methods for solving the one-dimensional
{Schr{\"o}dinger} equation",
journal = j-IJQC,
volume = "34",
number = "4",
pages = "401--406",
month = oct,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340408",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:Mj,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "34",
number = "4",
pages = "fmi--fmii",
month = oct,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340401",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:57 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hashimoto:1988:CRP,
author = "Katsufumi Hashimoto and Ji{\v{r}}{\'\i}
{\v{C}}{\'\i}{\v{z}}ek and Josef Paldus",
title = "Convergence radii of the perturbation expansions for
the ground-state energies of finite {Hubbard} models",
journal = j-IJQC,
volume = "34",
number = "5",
pages = "407--415",
month = nov,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340502",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cioslowski:1988:TEE,
author = "J. Cioslowski",
title = "Total $\pi$-electron energy in the ``variable
$\beta$'' {H{\"u}ckel} method",
journal = j-IJQC,
volume = "34",
number = "5",
pages = "417--421",
month = nov,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340503",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lipinski:1988:MAV,
author = "J{\'o}azef Lipi{\'n}ski",
title = "Modified all-valence {INDO\slash spd} method for
ground and excited state properties of isolated
molecules and molecular complexes",
journal = j-IJQC,
volume = "34",
number = "5",
pages = "423--435",
month = nov,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340504",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Roszak:1988:ECR,
author = "S. Roszak and W. A. Sokalski",
title = "Effects of contraction and reduction of basis set size
on the {He$_2$} interaction energy components",
journal = j-IJQC,
volume = "34",
number = "5",
pages = "437--444",
month = nov,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340505",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dinesha:1988:ISS,
author = "K. V. Dinesha and S. Rettrup and C. R. Sarma",
title = "An indexing scheme for spin-free configurations of
electrons",
journal = j-IJQC,
volume = "34",
number = "5",
pages = "445--455",
month = nov,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340506",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Holme:1988:AHE,
author = "T. A. Holme and R. D. Levine",
title = "An algebraic {Hamiltonian} for electronic and nuclear
degrees of freedom based on the vector model",
journal = j-IJQC,
volume = "34",
number = "5",
pages = "457--470",
month = nov,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340507",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Volosov:1988:OAS,
author = "Andrey Volosov",
title = "Optical activity of small peptide chains with
right-handed $\alpha$-helix structure",
journal = j-IJQC,
volume = "34",
number = "5",
pages = "471--481",
month = nov,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340508",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Froelich:1988:BRBa,
author = "P. Froelich",
title = "Book Review: {{\booktitle{Advances in chemical
reaction dynamics}}. Edited by P. M. Rentzepis and Ch.
Capellos, NATO ASI Series C, Vol. 184, Reidel,
Dordrecht, 1986}",
journal = j-IJQC,
volume = "34",
number = "5",
pages = "483--483",
month = nov,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340509",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See erratum \cite{Rentzepis:1986:ACR}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Froelich:1988:BRBb,
author = "P. Froelich",
title = "Book Review: {{\booktitle{Structure and dynamics of
molecular systems II}}. Edited by R. Daudel, J. P.
Korb, J. P. Lemaistre, and J. Maruani, Reidel,
Dordrecht, 1986}",
journal = j-IJQC,
volume = "34",
number = "5",
pages = "485--486",
month = nov,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340510",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Daudel:1985:SDM}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Aagren:1988:BRB,
author = "Hans {\AA}gren",
title = "Book Review: {{\booktitle{Relativistic theory of atoms
and molecules. A Bibliography 1916--1985}}. By P.
Pyykk{\"o}, Lecture Notes in Chemistry, Vol. 41, Edited
by G. Berthier, et al., Springer-Verlag, Berlin,
1986}",
journal = j-IJQC,
volume = "34",
number = "5",
pages = "487--487",
month = nov,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340511",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See
\cite{Pyykko:1986:RTA,Pyykko:1993:RTA,Pyykko:2000:RTA}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:Mk,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "34",
number = "5",
pages = "fmi--fmiii",
month = nov,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340501",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Toyoda:1988:SCG,
author = "Kaoru Toyoda",
title = "Structure of consistent ground state:
{Re---derivation} of {RPA} vacuum and inclusion of
higher {RPA} effects",
journal = j-IJQC,
volume = "34",
number = "6",
pages = "489--503",
month = dec,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340602",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fraga:1988:MEW,
author = "Serafin Fraga",
title = "A measure of the error in wave functions",
journal = j-IJQC,
volume = "34",
number = "6",
pages = "505--507",
month = dec,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340603",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Bartolotti:1988:TFT,
author = "Libero J. Bartolotti and Robert G. Parr and Yoram
Tal",
title = "{Thomas--Fermi} theory from a perturbative treatment
of the hydrogenic limit energy density functional: a
possible link to local density functional theory",
journal = j-IJQC,
volume = "34",
number = "6",
pages = "509--515",
month = dec,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340604",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Arteca:1988:MCM,
author = "Gustavo A. Arteca and Paul G. Mezey",
title = "Molecular conformations and molecular shape: a
discrete characterization of continua of {van der
Waals} surfaces",
journal = j-IJQC,
volume = "34",
number = "6",
pages = "517--526",
month = dec,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340605",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ni:1988:IPB,
author = "Xiangshan Ni and Xiufan Shi and Lunjiang Ling",
title = "An interaction potential between an alanine zwitterion
and a water molecule based on ab initio calculations",
journal = j-IJQC,
volume = "34",
number = "6",
pages = "527--533",
month = dec,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340606",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Meissner:1988:CCM,
author = "L. Meissner and K. Jankowski and J. Wasilewski",
title = "A coupled-cluster method for quasidegenerate states",
journal = j-IJQC,
volume = "34",
number = "6",
pages = "535--557",
month = dec,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340607",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zuhrt:1988:TIH,
author = "Christian Zuhrt and Danuta Jeziorek and Bronislav
{\.Z}urawski",
title = "Theoretical investigation of the {Na$^+$} + {H$_2$}
system. {III}. {Trajectory} calculations of
vibrationally inelastic collision processes",
journal = j-IJQC,
volume = "34",
number = "6",
pages = "559--569",
month = dec,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340608",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ramirez:1988:USR,
author = "Rafael Ramirez and Michael C. B{\"o}hm",
title = "The use of symmetry in reciprocal space integrations.
{Asymmetric} units and weighting factors for numerical
integration procedures in any crystal symmetry",
journal = j-IJQC,
volume = "34",
number = "6",
pages = "571--594",
month = dec,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340609",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:Ml,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "34",
number = "6",
pages = "fmi--fmii",
month = dec,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340601",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Larsson:1988:LDE,
author = "Sven Larsson and Anders Broo and Bruno K{\"a}llebring
and Andrey Volosov",
title = "Long distance electron transfer",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "1--22",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340704",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sneddon:1988:IGF,
author = "S. F. Sneddon and C. L. {Brooks III}",
title = "The influence of geometrical fluctuations on electron
tunneling barriers in proteins",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "23--32",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340705",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Arteca:1988:SDC,
author = "Gustavo A. Arteca and Paul G. Mezey",
title = "Shape description of conformationally flexible
molecules: {Application} to two-dimensional
conformational problems",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "33--54",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340706",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Loew:1988:ECS,
author = "Gilda Loew and Jack Collins and Philip Payne and Amrit
K. Judd and Kevin H. Wacknow",
title = "Energy-Conformational studies of $\beta$-endorphins:
{Identification} of plausible folded conformers",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "55--66",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340707",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Wilkinson:1988:EIC,
author = "A. J. Wilkinson and C. M. Warwick and R. H. Davies",
title = "Electrostatic interactions and conformation of some
thromboxane antagonists",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "67--84",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340708",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Richards:1988:EMR,
author = "Nigel G. J. Richards",
title = "Electrostatics and molecular recognition",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "85--93",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340709",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rao:1988:CBR,
author = "Gita Subba Rao and J. S. Bajaj",
title = "Conformational basis of the receptor-binding potency
of normal and mutant insulin molecules with relevance
to the pathophysiology of noninsulin dependent diabetes
mellitus {(NIDDM)}",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "95--101",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340710",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rashin:1988:CEH,
author = "Alexander A. Rashin",
title = "Continuum electrostatics and hydration phenomena",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "103--118",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340711",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{DelBene:1988:IMO,
author = "Janet E. {Del Bene}",
title = "An ab initio molecular orbital study of hydrogen
bonding and ion-molecule association in model systems
for {DNA} bases",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "119--135",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340712",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Scheiner:1988:EEI,
author = "Steve Scheiner and T. Das",
title = "Effects of external ions upon proton transfer
reactions: {H}-bonded systems containing {HCOOH}",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "137--147",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340713",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Boulanger:1988:IZM,
author = "Thierry Boulanger and Daniel P. Vercauteren and
Fran{\c{c}}ois Durant and Jean-Marie Andr{\'e}",
title = "3- and 5-{Isoxazolol} zwitterions: {A} model of
interaction with the {GABA-A} receptor relating to
agonism and antagonism",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "149--165",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340714",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kothekar:1988:PMR,
author = "V. Kothekar and Mrigank and A. Kotwal and B.
Chandrashekhar",
title = "On the possible mode of regulation of {DNA}
transcription by steroid hormones: {Glucocorticoids}",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "167--178",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340715",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hirata:1988:VBM,
author = "Fumio Hirata and Paul Redfern and Ronald M. Levy",
title = "Viewing the born model for ion hydration through a
microscope",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "179--190",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340716",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Paul:1988:TIA,
author = "R. Paul and O. G. Fritz and R. Chatterjee",
title = "Theoretical interpretation of the anomalous behavior
of some macromolecules",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "191--199",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340717",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Randic:1988:CTD,
author = "Milan Randi{\'c}",
title = "On characterization of three-dimensional structures",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "201--208",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340718",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pincus:1988:CBP,
author = "Matthew R. Pincus",
title = "The chain build-up procedure in computing the
structures of biologically active polypeptides and
proteins",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "209--220",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340719",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Brooks:1988:TCB,
author = "Charles L. {Brooks III}",
title = "Thermodynamic calculations on biological molecules",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "221--234",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340720",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Urry:1988:FEC,
author = "Dan W. Urry",
title = "Free energy (chemomechanical) transduction in
elastomeric polypeptides by chemical potential
modulation of an inverse temperature transition",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "235--245",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340721",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chun:1988:APB,
author = "Paul W. Chun",
title = "Approximation of the {Planck--Benzinger} thermal work
function in protein refolding in ribonuclease systems",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "247--258",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340722",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Klasinc:1988:PSB,
author = "L. Klasinc and I. Novak and A. Sablji{\'c} and S. P.
McGlynn",
title = "Photoelectron spectroscopy of biologically active
molecules. {XVI}. {Benzophenone} derivatives",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "259--266",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340723",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Randic:1988:RSG,
author = "Milan Randi{\'c} and Aleksandar Sablji{\'c} and Sonja
Nikoli{\'c} and Nenad Trinajsti{\'c}",
title = "A rational selection of graph-theoretical indices in
the {QSAR}",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "267--285",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340724",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Conrad:1988:QMM,
author = "Michael Conrad",
title = "Quantum mechanics and molecular computing: {Mutual}
implications",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "287--301",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340725",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1988:Ia,
author = "P. O. L{\"o}wdin and N. Y. {\"O}hrn and J. R. Sabin
and M. C. Zerner",
title = "Introduction",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "v--v",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340702",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:LPa,
author = "Anonymous",
title = "List of Participants",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "vii--xxvii",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340703",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:Mm,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "34",
number = "S15",
pages = "fmi--fmi",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340701",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 10 18:57:02 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Supplement: Proceedings of the International Syposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pipek:1988:DMS,
author = "J{\'a}nos Pipek and Paul G. Mezey",
title = "Dependence of {MO} shapes on a continuous measure of
delocalization",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "1--13",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340804",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{FerreiraDaSilva:1988:ISD,
author = "A. {Ferreira Da Silva}",
title = "On the impurity states in doped semiconductors via the
alternant molecular orbital method",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "15--20",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340805",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Guimaraes:1988:IDO,
author = "P. S. Guimar{\~a}es and A. {Ferreira Da Silva}",
title = "Interacting donors in the optical absorption of
semiconductors",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "21--24",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340806",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Csavinszky:1988:ENG,
author = "P. Csavinszky and A. M. Elabsy",
title = "Effect of the nonparabolicity of the {GaAs} conduction
band on the binding energy of off-center hydrogenic
donors in a {Ga$_{1 - x}$Al$_x$As\slash GaAs\slash
Ga$_{1 - x}$Al$_x$As} quantum well",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "25--31",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340807",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Szpunar:1988:IMH,
author = "Barbara Szpunar and Vedene H. {Smith, Jr.}",
title = "Itinerant magnetism in high {T$_c$} superconductors:
{YBa$_2$Cu$_3$} oxides and related structures",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "33--42",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340808",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Morrison:1988:DDM,
author = "Robert C. Morrison",
title = "Density and density matrix from optimized linearly
independent product basis functions for {Be}",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "43--49",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340809",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Burke:1988:NDP,
author = "Luke A. Burke and Karsten Krogh-Jespersen",
title = "The nonplanarity of $n$-doped polyenes and of
carbanions with alkali metal counterions",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "51--57",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340810",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Savin:1988:CDF,
author = "A. Savin",
title = "A combined density functional and configuration
interaction method",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "59--69",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340811",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Gazquez:1988:NAS,
author = "Jos{\'e} L. G{\'a}zquez and Alberto Vela",
title = "A new approach to second order corrections based on
density functional theory",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "71--76",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340812",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jones:1988:GOU,
author = "R. S. Jones and J. W. Mintmire and B. I. Dunlap",
title = "Geometry optimization using local-density functional
methods: {Numerical} aspects",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "77--84",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340813",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dixon:1988:SSE,
author = "David A. Dixon and Anthony J. {Arduengo III}",
title = "Solvent stabilization of the edge inversion transition
state in tetrahedral molecules",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "85--98",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340814",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Walnut:1988:PEC,
author = "Thomas H. Walnut",
title = "Properties of electronic current induced by nuclear
motion: {Interaction} with radiation",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "99--116",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340815",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Leszczynski:1988:TIM,
author = "Jerzy Leszczynski and Floyd Wiseman and Michael C.
Zerner",
title = "Toward an ionic mechanism of soot particle formation:
{Reactions} between acetylene and tautomeric forms of
the {C$_3$H$_3^+$} ions",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "117--125",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340816",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Randic:1988:CAM,
author = "Milan Randi{\'c} and Larhee L. Henderson and Roland
Stout and Nenad Trinajsti{\'c}",
title = "Conjugation and aromaticity of macrocyclic systems",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "127--141",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340817",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sinanoglu:1988:TER,
author = "Oktay Sinano{\u{g}}lu",
title = "Topological electronic rules for polycyclic
hydrocarbons --- quantum chemical deductions directly
from structural formulas",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "143--147",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340818",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Shepard:1988:PRS,
author = "Ron Shepard and Isaiah Shavitt and Russell M. Pitzer
and Donald C. Comeau and Melanie Pepper and Hans
Lischka and Peter G. Szalay and Reinhart Ahlrichs and
Franklin B. Brown and Jian-Guo Zhao",
title = "A progress report on the status of the {COLUMBUS MRCI}
program system",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "149--165",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340819",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chang:1988:VSH,
author = "Man Chai Chang",
title = "Vibrational studies of {HCN} and {DCN} in matrix",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "167--171",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340820",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fan:1988:CHF,
author = "Liangyou Fan and Louis Versluis and Tom Ziegler and
Evert Jan Baerends and Walter Ravenek",
title = "Calculation of harmonic frequencies and harmonic force
fields by the {Hartree--Fock--Slater} method",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "173--181",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340821",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jasien:1988:GPP,
author = "Paul G. Jasien and Ron Shepard",
title = "A general polyatomic potential energy surface fitting
method",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "183--198",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340822",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lima:1988:CCE,
author = "Eneida G. Lima and Sylvio Canuto",
title = "Correlated calculations of the electron affinity of
{HC$_2$}",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "199--205",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340823",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ferris:1988:ESP,
author = "Kim F. Ferris and Paul Friedman and Donald M.
Friedrich",
title = "Electronic structure of the phosphonitrilic trimer ---
role of $d$ orbitals in chemical bonding",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "207--218",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340824",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Woodward:1988:ESZ,
author = "C. Woodward and R. Benedek and B. I. Min",
title = "Electronic structure of {Zintl} phase compounds by
nonlinear optimization",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "219--223",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340825",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pluta:1988:NHF,
author = "Tadeusz Pluta and Rodney J. Bartlett and Ludwik
Adamowicz",
title = "Numerical {Hartree--Fock} characterization of
metastable states of the {He} anion",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "225--230",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340826",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Shillady:1988:TSG,
author = "D. D. Shillady and P. Jena and B. K. Rao and M. R.
Press",
title = "Theoretical study of the geometry of {Mn$_5$}",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "231--236",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340827",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Martin:1988:IES,
author = "Richard L. Martin and Paul W. Saxe",
title = "Ab initio electronic structure theory for a cluster
model of {La$_{2 - x}$Sr$_x$CuO$_4$}",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "237--244",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340828",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Westbrook:1988:IAE,
author = "John D. Westbrook and Karsten Krogh-Jespersen",
title = "Ab initio all-electron and effective core potential
calculations on {CuCl}",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "245--255",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340829",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dunlap:1988:DNC,
author = "Brett I. Dunlap",
title = "Do the new cluster sources also produce isomers?",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "257--264",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340830",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Seel:1988:ACC,
author = "Max Seel",
title = "Atomic clusters and cluster models in solid state
physics",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "265--274",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340831",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rosch:1988:TCC,
author = "N. R{\"o}sch and P. Sandl and A. G{\"o}rling and P.
Knappe",
title = "Toward a chemisorption cluster model using the
{LCGTO--X$_\alpha$} method: {Application} to
{Ni(100)\slash Na}",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "275--285",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340832",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rao:1988:ELA,
author = "B. K. Rao and P. Jena",
title = "Electron localization in anionic and cationic
clusters",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "287--296",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340833",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Broer:1988:TLS,
author = "R. Broer and G. Aissing and W. C. Nieuwpoort",
title = "Titanium in large silicon clusters",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "297--308",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340834",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lauher:1988:WWS,
author = "Joseph W. Lauher",
title = "What is wrong with a square metal cluster?",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "309--317",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340835",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Balasubramanian:1988:SCP,
author = "K. Balasubramanian and Xiaoyu Liu",
title = "Spectra and characteristic polynomials of polyhedral
clusters",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "319--328",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340836",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Vela:1988:OBC,
author = "Alberto Vela and Marcelo Galv{\'a}n and Jos{\'e} Luis
G{\'a}zquez",
title = "On the oscillatory behavior of the chemical potential
of neutral atoms",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "329--335",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340837",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1988:STI,
author = "Per-Olov L{\"o}wdin",
title = "On some thermodynamical inequalities",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "337--342",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340838",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Guan-Zhi:1988:TKT,
author = "Ju Guan-Zhi and Ma Wan-Yong and Deng Cong-Hao and Kurt
Christoffel",
title = "Theoretical kinetic and thermodynamic study on the
disilene-silylsilylene isomerization",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "343--347",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340839",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Nalewajski:1988:MHS,
author = "Roman F. Nalewajski and Jacek Korchowiec and
Zhongxiang Zhou",
title = "Molecular hardness and softness parameters and their
use in chemistry",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "349--366",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340840",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{El-Sayed:1988:MMS,
author = "M. A. El-Sayed",
title = "On the molecular mechanisms of solar energy storage
during the photocycle of the other photosynthetic
system in nature, bacteriorhodopsin",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "367--375",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340841",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pople:1988:CCE,
author = "J. A. Pople and M. Head-Gordon and Krishnan
Raghavachari",
title = "Corrections to correlations energies beyond fourth
order {M{\"o}ller--Plesset (MP4)} perturbation theory.
{Contributions} of single, double, and triple
substitutions",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "377--382",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340842",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kucharski:1988:MMB,
author = "Stanislaw A. Kucharski and Rodney J. Bartlett",
title = "Multireference many-body perturbation theory",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "383--405",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340843",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Weiner:1988:LAS,
author = "Brian Weiner",
title = "The {Lie} algebraic structure of the set of
one-particle fermion operators",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "407--424",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340844",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Baretty:1988:MBP,
author = "Reinaldo Baretty and Carmelo Garcia",
title = "Modified {Breit--Pauli} {Hamiltonian} suitable for
variational calculations",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "425--430",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340845",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ortiz:1988:PFO,
author = "J. V. Ortiz",
title = "Partial fourth order electron propagator theory",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "431--436",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340846",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Avery:1988:IMP,
author = "John Avery and Peter Sommer-Larsen",
title = "Iteration of the many-particle {Schr{\"o}dinger}
equation in momentum space",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "437--444",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340847",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rodriguez:1988:FNS,
author = "Wilfredo Rodr{\'\i}guez and Yasuyuki Ishikawa",
title = "Fully numerical solutions of the {Hartree--Fock}
equation in momentum space: {A} numerical study of the
{He} atom and {H} ion",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "445--456",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340848",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ishikawa:1988:UGT,
author = "Yasuyuki Ishikawa and Hideo Sekino",
title = "On the use of {Gaussian}-type functions in
{Dirac--Fock} basis set expansion calculations",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "457--463",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340849",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Balasubramanian:1988:RCC,
author = "K. Balasubramanian",
title = "Relativistic {CASSCF\slash CI} calculations:
{Applications} to transition metal dihydrides",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "465--476",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340850",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Svendsen:1988:VMC,
author = "E. Norby Svendsen",
title = "A variational method for calculation of dynamic
third-order susceptibilities",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "477--480",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340851",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Broeckhove:1988:GCA,
author = "J. Broeckhove and L. Lathouwers and G. Vanderheyden",
title = "Generator coordinate approximation to nuclear
electronic coupling",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "481--490",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340852",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Geertsen:1988:ACC,
author = "Jan Geertsen",
title = "An approximate coupled cluster doubles polarization
propagator approximation",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "491--495",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340853",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jones:1988:AEE,
author = "H. W. Jones and B. Etemadi and C. A. Weatherford",
title = "Analytical evaluation of the electrostatic potential
for diatomic molecules",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "497--502",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340854",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Palma:1988:NTD,
author = "A. Palma and L. Sandoval",
title = "The nonabelian two-dimensional algebra and the
{Franck--Condon} integral",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "503--505",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340855",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Donnelly:1988:DST,
author = "Robert A. Donnelly and Jack W. {Rogers, Jr.}",
title = "A discrete search technique for global optimization",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "507--513",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340856",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Larson:1988:SGA,
author = "Everett G. Larson and Kenneth G. Richards and Darlene
E. Tolman",
title = "Some geometrical algorithms for generation of field
lines of a vector field --- designed for high accuracy
with calculations at only a few field points",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "515--535",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340857",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cizek:1988:SCQ,
author = "J. {\v{C}}{\'\i}{\v{z}}ek and F. Vinette",
title = "Symbolic computation in quantum mechanics. {Several}
simple examples",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "537--548",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340858",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Edwards:1988:CSS,
author = "W. Daniel Edwards",
title = "Complex solutions to simple molecular orbital
problems",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "549--556",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340859",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dewar:1988:UQM,
author = "Michael J. S. Dewar",
title = "Use of quantum mechanical models in studies of
reaction mechanisms",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "557--566",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340860",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Radom:1988:SMD,
author = "Leo Radom and Peter M. W. Gill and Ming Wah Wong",
title = "Simple models for describing the fragmentation
behavior of multiply charged cations",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "567--573",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340861",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kahn:1988:MCR,
author = "S. D. Kahn and C. F. Pau and W. J. Hehre",
title = "Models for chemical reactivity: {Mapping} of
intermolecular potentials onto electron density
surfaces",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "575--591",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340862",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Purvis:1988:PTT,
author = "George D. {Purvis III} and James W. King",
title = "Proton transfer and triol formation in the simulation
of {GABA} solvation",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "593--600",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340863",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sharpe:1988:ETR,
author = "Paul Sharpe and Charles S. Christ and John R. Eyler
and David E. Richardson",
title = "Electron-Transfer reactions of organometallic and
coordination compounds in the absence of solvent:
{Experimental} results and theoretical approaches",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "601--610",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340864",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Moskowitz:1988:ASA,
author = "Jules W. Moskowitz and K. E. Schmidt and S. R. Wilson
and W. Cui",
title = "The application of simulated annealing to problems of
molecular mechanics",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "611--617",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340865",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Roszak:1988:IMC,
author = "Szczepan Roszak and Phillip B. Keegstra and P. C.
Hariharan and Joyce J. Kaufman",
title = "Ab-initio {MRD-CI} calculations for breaking a
chemical bond in a molecule in a crystal or other solid
environment {I}. {H$_3$C\bond{}NO$_2$} decomposition in
nitromethane",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "619--653",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340866",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{March:1988:SCE,
author = "N. H. March",
title = "Spatial correlation of electrons in metals",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "655--664",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340867",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Andre:1988:CMP,
author = "J. M. Andre and J. Delhalle and J. G. Fripiat and G.
Hennico and L. Piela",
title = "Calculations of molecular polarizabilities from
electric-field-variant atomic orbitals: {An} analysis
of the problem and its application to the hydrogen
molecule and to the alkane series",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "665--678",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340868",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Janssen:1988:ICS,
author = "G. J. M. Janssen and W. C. Nieuwpoort",
title = "On the ab-initio calculation of $d$-$d$ spectra in
transition metal compounds: {The} importance of relaxed
charge transfer states",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "679--696",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340869",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Thomson:1988:EPM,
author = "Colin Thomson and Derek Higgins",
title = "Electrostatic potential maps of flavone acetic acids:
{A} new class of antitumor drugs",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "697--705",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340870",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mikkelsen:1988:SSE,
author = "Kurt V. Mikkelsen and Mark A. Ratner",
title = "Specific solvation effects on electron transfer",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "707--720",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340871",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rabinowitz:1988:DMC,
author = "James R. Rabinowitz and Stephen B. Little",
title = "Development of a model that contains both multipole
moments and {Gaussians} for the calculation of
molecular electrostatic potentials",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "721--733",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340872",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Schluter:1988:ESS,
author = "M. Schluter",
title = "Electronic structure and superconductivity of high
{T$_c$ Cu} oxides",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "735--736",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340873",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Boettger:1988:TIS,
author = "J. C. Boettger",
title = "Theoretical investigation of a sodium overlayer on the
(111) surface of aluminum",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "737--738",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340874",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Wolfskill:1988:PIP,
author = "Troy Wolfskill",
title = "Preliminary investigations of puckering in
cyclooctatetraene: {Effects} of spin multiplicity and
oxidation state",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "739--740",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340875",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:E,
author = "Anonymous",
title = "Erratum",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "741--741",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340876",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1988:Ib,
author = "P. O. L{\"o}wdin and N. Y. {\"O}hrn and J. R. Sabin
and M. C. Zerner",
title = "Introduction",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "ix--ix",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340802",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:LPb,
author = "Anonymous",
title = "List of Participants",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "xi--xxii",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340803",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1988:M,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "34",
number = "S22",
pages = "fmi--fmi",
day = "12--19",
month = mar,
year = "1988",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560340801",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 16:59:42 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Supplement: Proceedings of the International Syposium
on Quantum Chemistry, Solid-State Theory, and
Computational Methods.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Miertus:1989:I,
author = "Stanislav Miertu{\v{s}}",
title = "Introduction",
journal = j-IJQC,
volume = "35",
number = "1",
pages = "1--1",
month = jan,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350102",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Clementi:1989:SSS,
author = "E. Clementi and S. Chin and G. Corongiu and J. H.
Detrich and M. Dupuis and D. Folsom and G. C. Lie and
D. Logan and V. Sonnad",
title = "Supercomputing and supercomputers for science and
engineering in general and for chemistry and
biosciences in particular",
journal = j-IJQC,
volume = "35",
number = "1",
pages = "3--89",
month = jan,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350103",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Poltev:1989:CIS,
author = "V. I. Poltev and A. V. Teplukhin",
title = "Conformational implications of some nucleotide
sequences",
journal = j-IJQC,
volume = "35",
number = "1",
pages = "91--102",
month = jan,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350104",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Danilov:1989:HEB,
author = "Victor I. Danilov and Anna V. Shestopalova",
title = "Hydrophobic effect in biological associates: {A Monte
Carlo} simulation of caffeine molecules stacking",
journal = j-IJQC,
volume = "35",
number = "1",
pages = "103--112",
month = jan,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350105",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Palma-Vittorelli:1989:MIA,
author = "M. B. Palma-Vittorelli",
title = "Molecular interactions in aqueous solutions: {The}
role of random fluctuations of external parameters and
of thermodynamic instabilities",
journal = j-IJQC,
volume = "35",
number = "1",
pages = "113--124",
month = jan,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350106",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Palma:1989:SSD,
author = "M. U. Palma",
title = "Solvent structure and dynamics: {How} relevant to
molecular and quantum pharmacology?",
journal = j-IJQC,
volume = "35",
number = "1",
pages = "125--139",
month = jan,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350107",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tvaroska:1989:CAO,
author = "Igor Tvaro{\v{s}}ka",
title = "Conformational analysis of oligosaccharides in
solution",
journal = j-IJQC,
volume = "35",
number = "1",
pages = "141--151",
month = jan,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350108",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Miertus:1989:QMS,
author = "S. Miertu{\v{s}} and V. Frecer and M.
M{\'a}jekov{\'a}",
title = "{QSAR} and {Mechanistic} studies on the genotoxic
compounds including environmental effects",
journal = j-IJQC,
volume = "35",
number = "1",
pages = "153--165",
month = jan,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350109",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zahradnik:1989:TAI,
author = "Rudolf Zahradn{\'\i}k and Frank Achenbach",
title = "Theoretical approaches to interactions between
biomolecules: {Legends} and approximations to reality",
journal = j-IJQC,
volume = "35",
number = "1",
pages = "167--180",
month = jan,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350110",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Axe:1989:CAA,
author = "Frank U. Axe and Ahmad Waleh and Lek Chantranupong and
Gilda H. Loew",
title = "A comparative analysis of the active site properties
of the resting states of cytochrome $c$ peroxidase,
metmyoglobin, and catalase",
journal = j-IJQC,
volume = "35",
number = "1",
pages = "181--191",
month = jan,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350111",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Saran:1989:CBC,
author = "Anil Saran",
title = "Correlation between the conformation of nucleoside
antibiotics and their biological activity",
journal = j-IJQC,
volume = "35",
number = "1",
pages = "193--203",
month = jan,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350112",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mehler:1989:IMA,
author = "E. L. Mehler and J. Gerhards",
title = "Interaction model for the antiinflammatory action of
benzoic and salicylic acids and phenols",
journal = j-IJQC,
volume = "35",
number = "1",
pages = "205--214",
month = jan,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350113",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Naray-Szabo:1989:ECM,
author = "G. N{\'a}ray-Szab{\'o} and P. Nagy",
title = "Electrostatic complementarity in molecular aggregates.
9: {Protein}-ligand complexes",
journal = j-IJQC,
volume = "35",
number = "1",
pages = "215--221",
month = jan,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350114",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Alagona:1989:NIM,
author = "G. Alagona and R. Cammi and C. Ghio and J. Tomasi",
title = "Noncovalent interactions of medium strength. {A}
revised interpretation and examples of its
applications",
journal = j-IJQC,
volume = "35",
number = "1",
pages = "223--239",
month = jan,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350115",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Dijkman:1989:TSE,
author = "Johannes P. Dijkman and Roman Osman and Harel
Weinstein",
title = "A theoretical study of the effect of primary and
secondary structure elements on the proton transfer in
papain",
journal = j-IJQC,
volume = "35",
number = "1",
pages = "241--252",
month = jan,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350116",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:Aa,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "35",
number = "1",
pages = "253--253",
month = jan,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350117",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:Ab,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "35",
number = "1",
pages = "255--255",
month = jan,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350118",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:Ma,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "35",
number = "1",
pages = "fmi--fmii",
month = jan,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350101",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ishida:1989:IBS,
author = "Toshimasa Ishida and Koichi Ohno",
title = "The influence of basis sets on wave function tails",
journal = j-IJQC,
volume = "35",
number = "2",
pages = "257--266",
month = feb,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350202",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Santamaria:1989:GSA,
author = "R. Santamar{\'\i}a and M. Berrondo and O. Novaro and
E. S. Kryachko",
title = "Generalized statistical approach to the study of
interatomic interactions",
journal = j-IJQC,
volume = "35",
number = "2",
pages = "267--275",
month = feb,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350203",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hong-Yi:1989:NOF,
author = "Fan Hong-Yi and H. R. Zaidi",
title = "Normally ordered {Franck--Condon} operator: a new
approach for the calculation of {Frank--Condon}
factors",
journal = j-IJQC,
volume = "35",
number = "2",
pages = "277--282",
month = feb,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350204",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Saito:1989:CDP,
author = "Nakaya Saito and George G. Hall",
title = "The change in the dressed potential of a polyatomic
molecule in intense photon fields: {Simple} rules based
on the nuclear charge-mass ratio",
journal = j-IJQC,
volume = "35",
number = "2",
pages = "283--295",
month = feb,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350205",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Wierzbicki:1989:NNA,
author = "Andrzej Wierzbicki and Joel M. Bowman",
title = "New numerical approaches to the solution of the
{$N$}-well {Schr{\"o}dinger} equation",
journal = j-IJQC,
volume = "35",
number = "2",
pages = "297--303",
month = feb,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350206",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kertesz:1989:SES,
author = "Miklos Kertesz and Yong S. Lee and James J. P.
Stewart",
title = "Structure and electronic structure of polyacene",
journal = j-IJQC,
volume = "35",
number = "2",
pages = "305--313",
month = feb,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350207",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pop:1989:TSS,
author = "Emil Pop and Marcus E. Brewster and J. J. Kaminski and
Nicholas Bodor",
title = "Theoretical study of some heterocyclic amines with
applications to the chemistry of
9-amino-1,2,3,4-tetrahydroacridine",
journal = j-IJQC,
volume = "35",
number = "2",
pages = "315--324",
month = feb,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350208",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fraga:1989:AEL,
author = "S. Fraga and E. {San Fabian} and J. A. Sordo and M.
Campillo and J. D. Climenhaga and M. Klobukowski",
title = "Atomic energy levels from configuration interaction
calculations with relativistic corrections",
journal = j-IJQC,
volume = "35",
number = "2",
pages = "325--330",
month = feb,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350209",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tillieu:1989:UAL,
author = "Jacques Tillieu and Augustin {Van Groenendael}",
title = "Usage de l'alg{\`e}bre de {Lie} {${\rm su}(n)$} dans
l'{\'e}tude des syst{\`e}mes quantiques {\`a} $n$
etats. {VII}: {Sur} le ``probl{\`e}me inverse''.
({French}) [{Use} of {Lie} algebra {${\rm su}(n)$} in
the study of quantum systems of $n$ states. {VII}. {On}
the ``inverse problem'']",
journal = j-IJQC,
volume = "35",
number = "2",
pages = "331--337",
month = feb,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350210",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
language = "French",
onlinedate = "19 Oct 2004",
}
@Article{ElKhatib:1989:EST,
author = "N. {El Khatib} and H. Chermette and M. Maitrot",
title = "Electronic structure, theoretical electronic
properties of tetraphenyldithiapyranylidene {DIPS}
$\varphi_4$ molecule, and evaluation of the charge
transfer occurring with doping agents like {TCNQ}",
journal = j-IJQC,
volume = "35",
number = "2",
pages = "339--358",
month = feb,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350211",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:Ac,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "35",
number = "2",
pages = "359--359",
month = feb,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350212",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:Mb,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "35",
number = "2",
pages = "fmi--fmii",
month = feb,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350201",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:58 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tachibana:1989:AME,
author = "Akitomo Tachibana",
title = "Application of the {Mermin} entropy principle to the
``apparatus'' density functional theory",
journal = j-IJQC,
volume = "35",
number = "3",
pages = "361--372",
month = mar,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350302",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Klein:1989:EGS,
author = "D. J. Klein and T. G. Schmalz",
title = "Exact ground state for a {Herndon--Simpson} model via
resonance--theoretic cluster expansion",
journal = j-IJQC,
volume = "35",
number = "3",
pages = "373--383",
month = mar,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350303",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Plant:1989:HBV,
author = "J. S. Plant and H. H. Greenwood",
title = "Hydrogen bonding in vitamin {B$_6$}",
journal = j-IJQC,
volume = "35",
number = "3",
pages = "385--393",
month = mar,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350304",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lunell:1989:CSS,
author = "S. Lunell and Y. Nakamura",
title = "Conformational studies on {L}-serine phosphate and
hydrated {L}-serine phosphate using ab initio {SCF}
calculations",
journal = j-IJQC,
volume = "35",
number = "3",
pages = "395--407",
month = mar,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350305",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sadlej:1989:TDW,
author = "Andrzej J. Sadlej",
title = "Time-dependence of wave functions and the calculation
of transition intensities",
journal = j-IJQC,
volume = "35",
number = "3",
pages = "409--423",
month = mar,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350306",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Golelbiewski:1989:NCB,
author = "A. Go{\l}{\k{e}}lbiewski and E. Broc{\l}awik and M.
Witko",
title = "New concepts in bonded functions theory. {III}.
{Orthogonalization} problem",
journal = j-IJQC,
volume = "35",
number = "3",
pages = "425--432",
month = mar,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350307",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Garcia-Sucre:1989:EMS,
author = "M. Garc{\'\i}a-Sucre",
title = "The energy of a molecule as a sum of terms related to
its nuclei when the nuclear motion is quantum
mechanically described*",
journal = j-IJQC,
volume = "35",
number = "3",
pages = "433--439",
month = mar,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350308",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Altmann:1989:POC,
author = "S. L. Altmann",
title = "Projection operators and {Clebsch--Gordan}
coefficients for projective representations",
journal = j-IJQC,
volume = "35",
number = "3",
pages = "441--456",
month = mar,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350309",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:Ad,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "35",
number = "3",
pages = "457--457",
month = mar,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350310",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:Ae,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "35",
number = "3",
pages = "459--459",
month = mar,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350311",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:Mc,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "35",
number = "3",
pages = "fmi--fmii",
month = mar,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350301",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Katriel:1989:PCO,
author = "Jacob Katriel",
title = "Products of class operators of the symmetric group",
journal = j-IJQC,
volume = "35",
number = "4",
pages = "461--470",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350402",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Nevalainen:1989:DMA,
author = "Vesa Nevalainen and Tapani A. Pakkanen and Marina
Lindblad",
title = "Density matrix approximation as a probe to the
interaction range analysis of electronic structure",
journal = j-IJQC,
volume = "35",
number = "4",
pages = "471--481",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350403",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Das:1989:SSF,
author = "Kalyan K. Das and D. Mukherjee and S. P.
Bhattacharyya",
title = "Spectroscopic and structural features of small
thiocarbonyl molecules in low-lying excited states:
{Further} applications of a variant of the orthogonal
gradient method",
journal = j-IJQC,
volume = "35",
number = "4",
pages = "483--494",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350404",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Biskupic:1989:MBD,
author = "Stanislav Biskupi{\v{c}} and Vladim{\'\i}r
Kvasni{\v{c}}ka",
title = "A many-body diagrammatic theory of rotation--vibration
spectra",
journal = j-IJQC,
volume = "35",
number = "4",
pages = "495--512",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350405",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Deal:1989:LEI,
author = "Walter J. Deal",
title = "Local energy as an indicator of the accuracy of wave
functions and probability densities for helium",
journal = j-IJQC,
volume = "35",
number = "4",
pages = "513--518",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350406",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cullen:1989:FOC,
author = "J. M. Cullen",
title = "Fifth-order constant denominator perturbation theory
within a localized bond model: {Contributions} from
triple and quadruple excitations",
journal = j-IJQC,
volume = "35",
number = "4",
pages = "519--549",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350407",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lim:1989:EFH,
author = "Tiong-Koon Lim",
title = "Explicit formulas for the {Hamiltonian} matrix
elements",
journal = j-IJQC,
volume = "35",
number = "4",
pages = "551--566",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350408",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zerner:1989:CAH,
author = "Michael C. Zerner",
title = "A configuration-averaged {Hartree--Fock} procedure",
journal = j-IJQC,
volume = "35",
number = "4",
pages = "567--575",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350409",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Chermette:1989:ESD,
author = "Henry Chermette and Dennis R. Salahub",
title = "Eigenvalue search by diagonalization in the scattered
wave method",
journal = j-IJQC,
volume = "35",
number = "4",
pages = "577--580",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350410",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Calais:1989:BRB,
author = "Jean-Louis Calais",
title = "Book Review: {{\booktitle{Ab Initio Methods in Quantum
Chemistry, Part I and Part II}}. Wiley-Interscience,
New York, Advances in Chemical Physics, Vol. 67, 556
pp, and Vol. 69, 588 pp, 1987. K. P. Lawley, Editor}",
journal = j-IJQC,
volume = "35",
number = "4",
pages = "581--581",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350411",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Lawley:1987:IMQ}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mouritsen:1989:BRB,
author = "Ole G. Mouritsen",
title = "Book Review: {{\booktitle{Introduction to Phase
Transitions and Critical Phenomena}}. By H. Eugene
Stanley, Oxford University Press, Oxford, 1987}",
journal = j-IJQC,
volume = "35",
number = "4",
pages = "583--584",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350412",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Stanley:1971:IPT,Stanley:1987:IPT}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:Md,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "35",
number = "4",
pages = "fmi--fmii",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350401",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hong-Yi:1989:NUT,
author = "Fan Hong-Yi",
title = "New unitary transformation for the three coupled
oscillators",
journal = j-IJQC,
volume = "35",
number = "5",
pages = "585--592",
month = may,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350502",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Taijin:1989:SPG,
author = "Zhou Taijin",
title = "Simplification of point group projection operators and
its application to symmetry adaptation of multishell
electron configurations",
journal = j-IJQC,
volume = "35",
number = "5",
pages = "593--612",
month = may,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350503",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Suzuki:1989:ARM,
author = "Masato Suzuki and Akira Imamura",
title = "Application of the recursion method to the study of
the end effects on the bond length alternation in
polyacetylene",
journal = j-IJQC,
volume = "35",
number = "5",
pages = "613--628",
month = may,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350504",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Panin:1989:COE,
author = "A. I. Panin",
title = "Contraction operator over electronic {Fock} space.
{II}. {Weak} representability problem",
journal = j-IJQC,
volume = "35",
number = "5",
pages = "629--647",
month = may,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350505",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hunter:1989:EDP,
author = "G. Hunter and N. H. March",
title = "Explicit density--potential relation for 4-electron
atoms in 2-orbital {S} states",
journal = j-IJQC,
volume = "35",
number = "5",
pages = "649--663",
month = may,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350506",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Duncan:1989:ADB,
author = "Richard H. Duncan and G. S. Davies",
title = "Alkylation of {DNA} bases by carcinogenic
{N}-nitrosamine metabolites: a theoretical study",
journal = j-IJQC,
volume = "35",
number = "5",
pages = "665--677",
month = may,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350507",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Iyakutti:1989:ESH,
author = "K. Iyakutti and S. Sankar and M. Thiagarajan",
title = "Electronic structure of helium-trapped vacancy in
aluminum using multiple scattering {X$_\alpha$}
method",
journal = j-IJQC,
volume = "35",
number = "5",
pages = "679--685",
month = may,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350508",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ojha:1989:ADS,
author = "P. C. Ojha",
title = "Analysis of degeneracy in the spectrum of a class of
molecular graphs",
journal = j-IJQC,
volume = "35",
number = "5",
pages = "687--700",
month = may,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350509",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:Me,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "35",
number = "5",
pages = "fmi--fmii",
month = may,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350501",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:PPI,
author = "Anonymous",
title = "Portrait of {Professor Ivar Waller}",
journal = j-IJQC,
volume = "35",
number = "6",
pages = "701--701",
month = jun,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350602",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1989:PIW,
author = "Per-Olov L{\"o}wdin and Osvaldo Goscinski and
Jean-Louis-Calais and Erkki Br{\"a}ndas",
title = "{Professor Ivar Waller} 90-years anniversary {June 11,
1988}",
journal = j-IJQC,
volume = "35",
number = "6",
pages = "703--703",
month = jun,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350603",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lundqvist:1989:IWY,
author = "Stig Lundqvist",
title = "{Ivar Waller} 90 years on {June 11, 1988}",
journal = j-IJQC,
volume = "35",
number = "6",
pages = "705--707",
month = jun,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350604",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:PIW,
author = "Anonymous",
title = "Publications by {Ivar Waller}",
journal = j-IJQC,
volume = "35",
number = "6",
pages = "709--710",
month = jun,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350605",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Frauenfelder:1989:DWF,
author = "Hans Frauenfelder",
title = "The {Debye--Waller} factor: {From} villain to hero in
protein crystallography",
journal = j-IJQC,
volume = "35",
number = "6",
pages = "711--715",
month = jun,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350606",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pauncz:1989:WHD,
author = "Ruben Pauncz",
title = "The {Waller--Hartree} double determinant in quantum
chemistry",
journal = j-IJQC,
volume = "35",
number = "6",
pages = "717--719",
month = jun,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350607",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Carlsson:1989:CS,
author = "Gudrun Alm Carlsson and Karl-Fredrik Berggren and Carl
A. Carlsson and Georg Matscheko and Roland Ribberfors",
title = "The {Compton} spectrometer",
journal = j-IJQC,
volume = "35",
number = "6",
pages = "721--734",
month = jun,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350608",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Calais:1989:OMS,
author = "Jean-Louis Calais",
title = "Orthogonalization in momentum space",
journal = j-IJQC,
volume = "35",
number = "6",
pages = "735--743",
month = jun,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350609",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Eriksson:1989:GSQ,
author = "K.-E. Eriksson",
title = "Guessing the state of a quantum system from a limited
set of observations",
journal = j-IJQC,
volume = "35",
number = "6",
pages = "745--749",
month = jun,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350610",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Froman:1989:DPE,
author = "Nanny Fr{\"o}man and Per Olof Fr{\"o}man",
title = "Determination of the potential from experimental data
on energies and widths of quasi-stationary levels",
journal = j-IJQC,
volume = "35",
number = "6",
pages = "751--760",
month = jun,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350611",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Goscinski:1989:HA,
author = "Osvaldo Goscinski and Joseph Delhalle",
title = "Hyperpolarizability approximations",
journal = j-IJQC,
volume = "35",
number = "6",
pages = "761--767",
month = jun,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350612",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jarlskog:1989:PAM,
author = "C. Jarlskog",
title = "On particle--antiparticle mirror symmetry",
journal = j-IJQC,
volume = "35",
number = "6",
pages = "769--778",
month = jun,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350613",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Karlsson:1989:RPU,
author = "Erik B. Karlsson",
title = "Recent progress in the understanding of light particle
tunneling in metals",
journal = j-IJQC,
volume = "35",
number = "6",
pages = "779--791",
month = jun,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350614",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kohler:1989:MMH,
author = "H. S. K{\"o}hler",
title = "Microscopic model for heavy-ion nonrelativistic
collisions",
journal = j-IJQC,
volume = "35",
number = "6",
pages = "793--799",
month = jun,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350615",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Linderberg:1989:AMC,
author = "Jan Linderberg",
title = "An algorithm for {$R$} matrix calculations for
atom--diatom reactive scattering",
journal = j-IJQC,
volume = "35",
number = "6",
pages = "801--811",
month = jun,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350616",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lindh:1989:TSD,
author = "Roland Lindh and Bj{\"o}rn O. Roos",
title = "A theoretical study of the diffuseness of the {V
($^1$B$_{1u}$)} state of planar ethylene",
journal = j-IJQC,
volume = "35",
number = "6",
pages = "813--825",
month = jun,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350617",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lundqvist:1989:NNE,
author = "S. Lundqvist",
title = "Nonlocal and nonlinear electromagnetic effects at
surfaces",
journal = j-IJQC,
volume = "35",
number = "6",
pages = "827--838",
month = jun,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350618",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1989:SRP,
author = "Per-Olov L{\"o}wdin and Bengt Nagel",
title = "Some remarks on the perturbation and
variation--perturbation calculations of the free energy
for quantum systems",
journal = j-IJQC,
volume = "35",
number = "6",
pages = "839--850",
month = jun,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350619",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sjogren:1989:SAM,
author = "Lennart Sj{\"o}gren and Alf Sj{\"o}lander",
title = "Some applications of the mode--mode coupling
approach",
journal = j-IJQC,
volume = "35",
number = "6",
pages = "851--867",
month = jun,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350620",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tripathi:1989:SFE,
author = "A. N. Tripathi and Vedene H. {Smith, Jr.} and Ajit J.
Thakkar",
title = "Scattering of fast electrons and {X}-rays from
molecules: {CH$_4$} and {C$_2$H$_2$}",
journal = j-IJQC,
volume = "35",
number = "6",
pages = "869--885",
month = jun,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350621",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Wilhelmsson:1989:SFE,
author = "H. Wilhelmsson",
title = "Self-formation and evolution of singletons",
journal = j-IJQC,
volume = "35",
number = "6",
pages = "887--893",
month = jun,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350622",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Brauchler:1989:HBP,
author = "M. Br{\"a}uchler and S. Lunell and I. Olovsson and W.
Weyrich",
title = "Hydrogen bonding in potassium hydrogen carbonate
studied by {Compton} scattering on single crystals",
journal = j-IJQC,
volume = "35",
number = "6",
pages = "895--917",
month = jun,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350623",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:Mf,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "35",
number = "6",
pages = "fmi--fmii",
month = jun,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560350601",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:45:59 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:E,
author = "Anonymous",
title = "Editorial",
journal = j-IJQC,
volume = "36",
number = "1",
pages = "1--3",
month = jul,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360102",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Zhao:1989:REA,
author = "Cheng-Da Zhao and Bin Chen and Jing-An Huang",
title = "Reaction ergodography for the additions of {HLi} and
its dimer to acetylene",
journal = j-IJQC,
volume = "36",
number = "1",
pages = "5--14",
month = jul,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360103",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hui-Yun:1989:VMV,
author = "Pan Hui-Yun and Zhao Zu Sen",
title = "On the validity of the mass--velocity operator in
quantum chemistry",
journal = j-IJQC,
volume = "36",
number = "1",
pages = "15--18",
month = jul,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360104",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Shusterman:1989:CMD,
author = "Alan J. Shusterman and A. Sherwood Johnson and Corwin
Hansch",
title = "Correlation of mutagenicity of
{1,1-dimethyl-3-(X-phenyl)-triazenes} with molecular
orbital energies and hydrophobicity",
journal = j-IJQC,
volume = "36",
number = "1",
pages = "19--33",
month = jul,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360105",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sarma:1989:SAA,
author = "C. R. Sarma and J. Paldus and Y. {\"O}hrn",
title = "Spin adaptation of antisymmetrized geminal product
wave functions",
journal = j-IJQC,
volume = "36",
number = "1",
pages = "35--48",
month = jul,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360106",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hidalgo:1989:PVS,
author = "A. Hidalgo and J. Z{\'u}{\~n}iga and A. Bastida and A.
Requena",
title = "Perturbative virtual {SCF CI} treatment for energy
levels of coupled oscillator systems",
journal = j-IJQC,
volume = "36",
number = "1",
pages = "49--60",
month = jul,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360107",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fernandez:1989:REE,
author = "Francisco M. Fern{\'a}ndez and Eduardo A. Castro and
John F. Ogilvie",
title = "On the {Ricatti} equation for eigenvalue problems",
journal = j-IJQC,
volume = "36",
number = "1",
pages = "61--65",
month = jul,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360108",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Smet:1989:TEH,
author = "F. Smet and A. van Groenendael",
title = "Sur la th{\'e}orie des {\'e}quations de
{Hartree--Fock} d{\'e}pendent du temps. {V}.
{{\'E}tude} d'un mod{\`e}le sph{\'e}rique {\`a} 2
{\'e}lectrons. {Calcul} du tenseur
d'hyperpolarisabilite d'ordre 3 ({French}) [{On} the
quantum theory of time-dependent {Hartree--Fock}
equations. {V}. {Study} of a 2-electron spherical
model]",
journal = j-IJQC,
volume = "36",
number = "1",
pages = "67--91",
month = jul,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360109",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
language = "French",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:Mg,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "36",
number = "1",
pages = "fmi--fmii",
month = jul,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360101",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1989:SPB,
author = "Per-Olov L{\"o}wdin and Piotr Froelich and Manoj
Mishra",
title = "Some properties of the bivariational {Hartree--Fock}
scheme for complex symmetric many-particle operators",
journal = j-IJQC,
volume = "36",
number = "2",
pages = "93--103",
month = aug,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360202",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Shivaglal:1989:OSF,
author = "M. C. Shivaglal and Surjit Singh",
title = "{OH} stretching force constant in associated methanol
species and the cooperativity effect",
journal = j-IJQC,
volume = "36",
number = "2",
pages = "105--118",
month = aug,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360203",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kirtman:1989:FCA,
author = "Bernard Kirtman",
title = "Finite chain approximation for linear and nonlinear
polarizabilities of polydiacetylene and
polybutatriene",
journal = j-IJQC,
volume = "36",
number = "2",
pages = "119--125",
month = aug,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360204",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Li:1989:ERG,
author = "Xiangzhu Li and Josef Paldus",
title = "Explicit representation of {Gel'fand--Tsetlin} states
in {Clifford} algebra unitary group approach",
journal = j-IJQC,
volume = "36",
number = "2",
pages = "127--140",
month = aug,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360205",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Priyadarshy:1989:TEE,
author = "Satyam Priyadarshy and Sambhu Nath Datta",
title = "Transport of excitation energy in a three-dimensional
doped molecular crystal",
journal = j-IJQC,
volume = "36",
number = "2",
pages = "141--155",
month = aug,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360206",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pick:1989:SST,
author = "{\v{S}}t{\v{e}}p{\'a}n Pick and Mojm{\'\i}r
Tom{\'a}{\v{s}}ek",
title = "On surface states of transition metal carbides,
nitrides, and oxides: (001), (011), and (111)
surfaces",
journal = j-IJQC,
volume = "36",
number = "2",
pages = "157--167",
month = aug,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360207",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Rerat:1989:EFV,
author = "M. R{\'e}rat",
title = "Electric field variant ket for the calculation of
dynamic polarizabilities. {Application} to {H$_2$O} and
{N$_2$}",
journal = j-IJQC,
volume = "36",
number = "2",
pages = "169--178",
month = aug,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360208",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Billing:1989:CPA,
author = "G. D. Billing and J. T. Muckerman",
title = "A classical path approach to reactive scattering",
journal = j-IJQC,
volume = "36",
number = "2",
pages = "179--186",
month = aug,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360209",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:Mh,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "36",
number = "2",
pages = "fmi--fmii",
month = aug,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360201",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Jortner:1989:OPP,
author = "Joshua Jortner",
title = "Organizer's preface to the proceedings of the sixth
international congress on quantum chemistry",
journal = j-IJQC,
volume = "36",
number = "3",
pages = "187--188",
month = sep,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360302",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:EP,
author = "Anonymous",
title = "Editor's preface",
journal = j-IJQC,
volume = "36",
number = "3",
pages = "189--190",
month = sep,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360303",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Lowdin:1989:PSQ,
author = "Per-Olov L{\"o}wdin",
title = "On the present situation of quantum chemistry:
{Chairman}'s introductory remarks at the 6th {ICQC}",
journal = j-IJQC,
volume = "36",
number = "3",
pages = "191--199",
month = sep,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360304",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Qianer:1989:ITM,
author = "Zhang Qianer and Li Xiangzhu",
title = "Improved treatment for matrix elements of
spin-dependent operators",
journal = j-IJQC,
volume = "36",
number = "3",
pages = "201--211",
month = sep,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360305",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ishida:1989:CDU,
author = "Kazuhiro Ishida",
title = "Charge density by the use of the
{Hiller--Sucher--Feinberg} identity. {Perturbative}
corrections and configuration interaction effects",
journal = j-IJQC,
volume = "36",
number = "3",
pages = "213--223",
month = sep,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360306",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Mayer:1989:IIS,
author = "I. Mayer and P. R. Surj{\'a}n",
title = "Improved intermolecular {SCF} theory and the {BSSE}
problem",
journal = j-IJQC,
volume = "36",
number = "3",
pages = "225--240",
month = sep,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360307",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Largo-Cabrerizo:1989:TSP,
author = "A. Largo-Cabrerizo and J. R. Flores",
title = "A theoretical study of protonation of triatomic
silicon--carbon compounds",
journal = j-IJQC,
volume = "36",
number = "3",
pages = "241--253",
month = sep,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360308",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Karna:1989:HCC,
author = "S. P. Karna and F. Grein and B. Engels and S. D.
Peyerimhoff",
title = "The hyperfine coupling constants of {$^{19}$F}: {An}
ab initio {MRD-CI} basis set study",
journal = j-IJQC,
volume = "36",
number = "3",
pages = "255--263",
month = sep,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360309",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Karna:1989:IMC,
author = "S. P. Karna and F. Grein",
title = "Ab initio {MO} calculations of hyperfine coupling
constants. {A} basis set study for {$^{19}$F},
{$^{35}$Cl}, {$^{19}$F}, and {$^{35}$Cl}",
journal = j-IJQC,
volume = "36",
number = "3",
pages = "265--275",
month = sep,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360310",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Tamassy-Lentei:1989:PIS,
author = "I. Tam{\'a}ssy-Lentei and {\'A}.
Derecskei-Kov{\'a}cs",
title = "Pseudopotential investigation of some alkali metal
molecules",
journal = j-IJQC,
volume = "36",
number = "3",
pages = "277--285",
month = sep,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360311",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hobza:1989:EPI,
author = "P. Hobza and Z. Havlas",
title = "An empirical potential for interactions of large
molecules: {Application} to binding of dipeptides to
{DNA}",
journal = j-IJQC,
volume = "36",
number = "3",
pages = "287--298",
month = sep,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360312",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Liang:1989:TSC,
author = "Jiin-Yun Liang and William N. Lipscomb",
title = "Theoretical study of carbonic anhydrase-catalyzed
hydration of {CO$_2$}: a brief review",
journal = j-IJQC,
volume = "36",
number = "3",
pages = "299--312",
month = sep,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360313",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sabio:1989:CCS,
author = "Michael Sabio and Sid Topiol",
title = "Computational chemical studies of chiral
stationary-phase models: {The} nature of the {Pi}
interaction in complexes of methyl {$N$}-(2-naphthyl)
alaninate with {$N$}-(3,5-dinitrobenzoyl)leucine
n-propylamide",
journal = j-IJQC,
volume = "36",
number = "3",
pages = "313--317",
month = sep,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360314",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Misiak:1989:PTS,
author = "P. Misiak and H. Chojnacki",
title = "Proton transfer and solitonic excitations in model
one-dimensional hydrogen-bonded systems",
journal = j-IJQC,
volume = "36",
number = "3",
pages = "319--323",
month = sep,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360315",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Novoselsky:1989:SMC,
author = "Akiva Novoselsky and Jacob Katriel and Michel
Valli{\`e}gres and Jin-Quan Chen and Robert Gilmore",
title = "Shell model calculations: {An} efficient new
algorithm",
journal = j-IJQC,
volume = "36",
number = "3",
pages = "325--339",
month = sep,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360316",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Fripiat:1989:PAS,
author = "J. G. Fripiat and J. Delhalle and J. M. Andr{\'e} and
J. L. Calais",
title = "Potentials of an alternative scheme for ab initio
polymer band structure calculations. {Illustration} on
the chain of hydrogen atoms",
journal = j-IJQC,
volume = "36",
number = "3",
pages = "341--351",
month = sep,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360317",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Roszak:1989:IMC,
author = "Szczepan Roszak and Phillip B. Keegstra and Douglas W.
O'neal and P. C. Hariharan and Joyce J. Kaufman",
title = "Ab-Initio {MRD-CI} calculations for breaking a
chemical bond in a molecule in a crystal or other solid
environment. {II}. {H$_3$C---NO$_2$} decomposition of
nitromethane in a nitromethane crystal with voids",
journal = j-IJQC,
volume = "36",
number = "3",
pages = "353--368",
month = sep,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360318",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Campos-Martinez:1989:QAS,
author = "J. Campos-Martinez and G. Delgado-Barrio and P.
Villarreal and S. Miret-Artes",
title = "A quantal approximation to the study of the
collisional resonances in the {NA--N$_2$} system",
journal = j-IJQC,
volume = "36",
number = "3",
pages = "369--377",
month = sep,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360319",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Ding:1989:LAA,
author = "Shiliang Ding and Xizhang Yi and Conghao Deng",
title = "Lie algebraic approach to the scattering system
{H$_e$} + {H$_2$}",
journal = j-IJQC,
volume = "36",
number = "3",
pages = "379--389",
month = sep,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360320",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Christov:1989:STR,
author = "S. G. Christov",
title = "The stochastic theory and its relations to the general
reaction rate theory",
journal = j-IJQC,
volume = "36",
number = "3",
pages = "391--415",
month = sep,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360321",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Marconi:1989:QMC,
author = "Giancarlo Marconi",
title = "Quantum mechanical calculations on vibronic activity
in the {MCD} spectra of carbonyl compounds",
journal = j-IJQC,
volume = "36",
number = "3",
pages = "417--425",
month = sep,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360322",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:Af,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "36",
number = "3",
pages = "427--427",
month = sep,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360323",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:Mi,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "36",
number = "3",
pages = "fmi--fmii",
month = sep,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360301",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:00 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Piecuch:1989:OSA,
author = "Piotr Piecuch and Josef Paldus",
title = "Orthogonally spin-adapted coupled-cluster equations
involving singly and doubly excited clusters.
{Comparison} of different procedures for
spin-adaptation",
journal = j-IJQC,
volume = "36",
number = "4",
pages = "429--453",
month = oct,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360402",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Goycoolea:1989:SIC,
author = "Candelaria Goycoolea and Mauricio Barrera and Fernando
Zuloaga",
title = "Self-interaction-corrected electronegativities and
hardness for atoms",
journal = j-IJQC,
volume = "36",
number = "4",
pages = "455--472",
month = oct,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360403",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Volosov:1989:RDE,
author = "Andrey Volosov",
title = "Role of doubly excited states in calculations of
optical activity",
journal = j-IJQC,
volume = "36",
number = "4",
pages = "473--486",
month = oct,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360404",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pipek:1989:LMM,
author = "J{\'a}nos Pipek",
title = "Localization measure and maximum delocalization in
molecular systems",
journal = j-IJQC,
volume = "36",
number = "4",
pages = "487--501",
month = oct,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360405",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Wasilewski:1989:GTC,
author = "J. Wasilewski",
title = "Graphical techniques in the configuration interaction
approach based on pure {Slater} determinants",
journal = j-IJQC,
volume = "36",
number = "4",
pages = "503--524",
month = oct,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360406",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Piccitto:1989:EEI,
author = "G. Piccitto and R. Pucci and N. H. March and A.
Grassi",
title = "Electron--Electron interaction energy in homonuclear
diatomic molecules",
journal = j-IJQC,
volume = "36",
number = "4",
pages = "525--531",
month = oct,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360407",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Geertsen:1989:BRB,
author = "Jan Geertsen",
title = "Book Review: {{\booktitle{Quantum description of
high-resolution NMR in liquids}}. By Maurice Goldman,
Clarendon Press, Oxford, 1988}",
journal = j-IJQC,
volume = "36",
number = "4",
pages = "533--533",
month = oct,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360408",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "See \cite{Goldman:1988:QDH}.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:Ag,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "36",
number = "4",
pages = "535--535",
month = oct,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360409",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:Ah,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "36",
number = "4",
pages = "537--537",
month = oct,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360410",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:Ai,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "36",
number = "4",
pages = "541--541",
month = oct,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360411",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Volosov:1989:E,
author = "Andrey Volosov",
title = "Erratum",
journal = j-IJQC,
volume = "36",
number = "4",
pages = "543--543",
month = oct,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360412",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:Mj,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "36",
number = "4",
pages = "fmi--fmii",
month = oct,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360401",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Sinanoglu:1989:ORT,
author = "Oktay Sinano{\u{g}}lu",
title = "Are oxygen rings {(O$_n$)} and their negative ions
{(O)} unstable?",
journal = j-IJQC,
volume = "36",
number = "5",
pages = "545--552",
month = nov,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360502",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Andrade:1989:SSD,
author = "L. Andrade and M. S{\'a}nchez",
title = "Surface states in deformed and perturbed diatomic
crystals",
journal = j-IJQC,
volume = "36",
number = "5",
pages = "553--561",
month = nov,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360503",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{LaFemina:1989:UPA,
author = "John P. LaFemina",
title = "Ultraviolet photoelectron and absorption spectra of
substituted phenols",
journal = j-IJQC,
volume = "36",
number = "5",
pages = "563--573",
month = nov,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360504",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Finkel:1989:FDG,
author = "David L. Finkel",
title = "Fractal displays of genomic {DNA}. {I}. {Eco RI}
fractal lattice of buffalo rat",
journal = j-IJQC,
volume = "36",
number = "5",
pages = "575--586",
month = nov,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360505",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Nakamura:1989:ISS,
author = "Y. Nakamura and S. Lunell",
title = "Ab initio {SCF} study of the interaction between
{L}-serine phosphate and ammonia",
journal = j-IJQC,
volume = "36",
number = "5",
pages = "587--598",
month = nov,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360506",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Li:1989:BTU,
author = "Xiangzhu Li and Qianer Zhang",
title = "Bonded tableau unitary group approach to the
many-electron correlation problem",
journal = j-IJQC,
volume = "36",
number = "5",
pages = "599--632",
month = nov,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360507",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Garcia-Vela:1989:QAS,
author = "A. Garc{\'\i}a-Vela and P. Villarreal and G.
Delgado-Barrio",
title = "Quantal approach to study the structure of triatomic
{I$_2$\dottedbond{}X (X = He, Ne) VDW} clusters",
journal = j-IJQC,
volume = "36",
number = "5",
pages = "633--646",
month = nov,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360508",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
keywords = "VDW (van der Waals)",
onlinedate = "19 Oct 2004",
}
@Article{Lefebvre:1989:ABQ,
author = "R. Lefebvre and O. Atabek and M. Garcia-Sucre",
title = "Application of box quantization to the determination
of the dissociation rates of a system of two coupled
{Morse} oscillators",
journal = j-IJQC,
volume = "36",
number = "5",
pages = "647--657",
month = nov,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360509",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Hu:1989:SSB,
author = "Chengzheng Hu and Hendrik J. Monkhorst",
title = "Symmetric and symmetry-broken {Hartree--Fock}
solutions of one-dimensional models",
journal = j-IJQC,
volume = "36",
number = "5",
pages = "659--667",
month = nov,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360510",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pauncz:1989:NDS,
author = "Ruben Pauncz",
title = "New derivation of the {Sasaki--Ohno} formula of the
{Sanibel} coefficients",
journal = j-IJQC,
volume = "36",
number = "5",
pages = "669--670",
month = nov,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360511",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:Aj,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "36",
number = "5",
pages = "671--672",
month = nov,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360512",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:Mk,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "36",
number = "5",
pages = "fmi--fmii",
month = nov,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360501",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Oneal:1989:ACL,
author = "Douglas W. O'neal and Jack Simons",
title = "Application of {Cholesky}-like matrix decomposition
methods to the evaluation of atomic orbital integrals
and integral derivatives",
journal = j-IJQC,
volume = "36",
number = "6",
pages = "673--688",
month = dec,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360602",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Feng:1989:ECF,
author = "Xuejun Feng and Jens Peder Dahl",
title = "Electron correlation forms in the {LiH} molecule ---
{Fermi} correlation",
journal = j-IJQC,
volume = "36",
number = "6",
pages = "689--704",
month = dec,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360603",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Meissner:1989:SEM,
author = "L. Meissner and K. Jankowski",
title = "Size-extensivity in multireference many-body
perturbation theories: a direct comparison between
single-reference and multireference perturbation
theories in the nondegenerate case",
journal = j-IJQC,
volume = "36",
number = "6",
pages = "705--726",
month = dec,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360604",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Boca:1989:IRE,
author = "Roman Bo{\v{c}}a",
title = "Inclusion of relativistic effects into {ZDO} methods.
{V}. {Effect} of core and polarization functions in
bonding of first-group elements",
journal = j-IJQC,
volume = "36",
number = "6",
pages = "727--739",
month = dec,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360605",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Kozlowski:1989:ADE,
author = "P. M. Kozlowski and N. H. March",
title = "Approximate density--external potential relation and
the {Pauli} potential for systems with {Coulombic}
interaction",
journal = j-IJQC,
volume = "36",
number = "6",
pages = "741--748",
month = dec,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360606",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Berrondo:1989:EPM,
author = "M. Berrondo and S. W. Eggleston and E. G. Larson",
title = "The effect of penetration on the multipole and
multistreak expansions of molecular electrostatic
potentials",
journal = j-IJQC,
volume = "36",
number = "6",
pages = "749--764",
month = dec,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360607",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anmin:1989:VCV,
author = "Tian Anmin and Liu Ruifeng and Sun Zemin and Zhou
Xuefeng and Yan Guosen",
title = "Variational calculations of vibrational and
vibration-rotational properties of ozone",
journal = j-IJQC,
volume = "36",
number = "6",
pages = "765--771",
month = dec,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360608",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Cundari:1989:ROC,
author = "Thomas R. Cundari and Russell S. Drago",
title = "{Ru}--oxo catalyzed epoxidations and the
{Woodward--Hoffmann} rules",
journal = j-IJQC,
volume = "36",
number = "6",
pages = "773--790",
month = dec,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360609",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:Ak,
author = "Anonymous",
title = "Announcement",
journal = j-IJQC,
volume = "36",
number = "6",
pages = "791--791",
month = dec,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360610",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Anonymous:1989:Ml,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "36",
number = "6",
pages = "fmi--fmii",
month = dec,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360601",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Mon Oct 3 12:46:01 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Oct 2004",
}
@Article{Pack:1989:MSD,
author = "George R. Pack and Linda Wong and Gene Lamm",
title = "Model systems for {DNA} and its environment:
{Suitability} and accuracy in theoretical
calculations",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "1--15",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360703",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Gupta:1989:DBS,
author = "Goutam Gupta and Kimiko Umemoto and Mukti H. Sarma and
Ramaswamy H. Sarma",
title = "{DNA} bending in solution: {NMR} studies on the
structural roles of {A\slash T} tracts and the
sequences at the junction",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "17--33",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360704",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Foley:1989:MMS,
author = "C. K. Foley and L. G. Pedersen and T. A. Darden and M.
W. Anderson",
title = "Molecular mechanics studies of sequence-specific
repair of {DNA} alkylated by {EMS} in the laci gene of
{{\em Escherichia coli}}",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "35--44",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360705",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Tang:1989:PRP,
author = "J. Tang and J. R. Norris",
title = "Phase refinement from a partially known structure
using linear prediction filtering",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "45--55",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360706",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Mcdonald:1989:MMC,
author = "Joseph J. Mcdonald and Robert Rein",
title = "Molecular modeling of calmodulin: {A} comparison with
crystallographic data",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "57--72",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360707",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Richards:1989:RME,
author = "Nigel G. J. Richards and Sarah L. Price",
title = "The representation of molecular electrostatics using
interactive graphics",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "73--85",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360708",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Naray-SzabO:1989:ECA,
author = "G{\'a}bor N{\'a}ray-Szab{\'O}",
title = "Electrostatics in computer-aided drug design",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "87--99",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360709",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Yadav:1989:CBI,
author = "Janardan Singh Yadav and Mark Hermsmeier and Tamara
Gund",
title = "Comparison between ab initio and semiempirical net
atomic charges of some nicotinic acetylcholine receptor
agonists",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "101--117",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360710",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Sokalski:1989:LCA,
author = "W. A. Sokalski and K. Maruszewski and P. C. Hariharan
and Joyce J. Kaufman",
title = "Library of cumulative atomic multipole moments: {II}.
Neutral and charged amino acids",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "119--164",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360711",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{King:1989:WIC,
author = "James W. King",
title = "A {$Z$}-weighted information content index",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "165--170",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360712",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Broch:1989:QMS,
author = "H. Broch and R. Viani and H. Grassi and D.
Vasilescu",
title = "Quantum molecular study of the {$Z$} access for the
phosphodiester linkage in nucleic acids",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "171--184",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360713",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Broo:1989:CET,
author = "Anders Broo and Sven Larsson",
title = "Calculation of electron transfer rates in proteins",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "185--198",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360714",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Loew:1989:TIP,
author = "Gilda H. Loew and Jack R. Collins and Frank U. Axe",
title = "Theoretical investigation of a proposed {[HIS 175-ASP
235-TRP 191]} proton transfer system in cytochrome c
peroxidase",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "199--209",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360715",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Scheiner:1989:PPT,
author = "Steve Scheiner and Rongshun Wang and Lan Wang",
title = "Perturbations of proton transfer potentials caused by
polar molecules",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "211--217",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360716",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Thomson:1989:TSS,
author = "Colin Thomson",
title = "Theoretical studies of some problems in chemical
carcinogenesis",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "219--234",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360717",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Luan:1989:SEE,
author = "Chi-Hao Luan and John Jaggard and R. Dean Harris and
Dan W. Urry",
title = "On the source of entropic elastomeric force in
polypeptides and proteins: {Backbone} configurational
vs. side-chain solvational entropy",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "235--244",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360718",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Konschin:1989:MSC,
author = "Henrik Konschin and Henrik Tylli and Jukka Gynther and
Juha Rouvinen",
title = "The molecular structure and conformational
characteristics of some specific benzodiazepine
receptor ligands: a molecular orbital study of
{C3}-substituted betacarboline derivatives",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "245--259",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360719",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Villar:1989:MMB,
author = "H. O. Villar and G. H. Loew",
title = "Molecular modulators of benzodiazepine receptor ligand
binding",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "261--271",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360720",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Yliniemela:1989:HAB,
author = "A. Yliniemel{\"a} and J. Gynther and H. Konschin and
H. Tylli and J. Rouvinen",
title = "High-affinity benzodiazepine receptor ligands among
benzodiazepines and betacarbolines with different
intrinsic activity",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "273--280",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360721",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Pardo:1989:TSA,
author = "Leonardo Pardo and Aleksander P. Mazurek and Roman
Osman and Harel Weinstein",
title = "Theoretical studies of the activation mechanism of
histamine {H$_2$}-receptors: {Dimaprit} and the
receptor model",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "281--290",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360722",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Pop:1989:TAC,
author = "Emil Pop and Marcus E. Brewster and Nicholas Bodor and
J. J. Kaminski",
title = "Theoretical aspects of cephalosporin isomerism",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "291--300",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360723",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Jacchieri:1989:CBT,
author = "S. G. Jacchieri",
title = "Cooperative binding of transition states in enzymatic
catalysis",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "301--309",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360724",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Head-Gordon:1989:TSA,
author = "Teresa Head-Gordon and Martin Head-Gordon and Michael
J. Frisch and Charles {Brooks III} and John Pople",
title = "A theoretical study of alanine dipeptide and analogs",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "311--322",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360725",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Carter:1989:NAQ,
author = "Stuart Carter and Sonja Nikoli{\'c} and Nenad
Trinajsti{\'c}",
title = "A novel algorithm for {QSAR}",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "323--330",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360726",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Klasinc:1989:PSB,
author = "L. Klasinc and S. P. Mcglynn and L. J.
Pa{\v{s}}a-Toli{\'c} and B. Kova{\v{c}}",
title = "Photoelectron spectroscopy of biologically active
molecules. 17. Unsaturated steroids",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "331--341",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360727",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Berrondo:1989:LE,
author = "M. Berrondo and E. G. Larson",
title = "Letter to the editor",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "343--344",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360728",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Ohrn:1989:Ia,
author = "N. Y. {\"O}hrn and J. R. Sabin and M. C. Zerner",
title = "Introduction",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "v--v",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360702",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Anonymous:1989:Mm,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "36",
number = "S16",
pages = "ii--ii",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360701",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:31 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Padkjer:1989:EHC,
author = "S{\o}ren Berg Padkj{\'e}r and Jan Linderberg",
title = "Electronic {Hamiltonians} for collision theory",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "1--15",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360804",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kresin:1989:NHE,
author = "Vladimir Z. Kresin and William A. {Lester, Jr.}",
title = "Nonadiabatic {Hamiltonian} for electronic--vibrational
coupling",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "17--26",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360805",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Recamier:1989:VET,
author = "Jos{\'e} R{\'e}camier and Manuel Berrondo",
title = "{VT} energy transfer in molecular collisions: {An}
algebraic approach",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "27--29",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360806",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Deumens:1989:GHA,
author = "E. Deumens and Y. {\"O}hrn",
title = "General harmonic approximation for time-dependent
molecular dynamics",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "31--43",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360807",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Yu:1989:GNV,
author = "Chin-Hui Yu and Donald J. Kouri and Meishan Zhao and
Donald G. Truhlar and David W. Schwenke",
title = "Generalized {Newton} variational principle --- {${\cal
L}^2$} amplitude density treatment of the 3-dimensional
quantal reaction {F $+$ H$_2$} $\rightarrow$ {HF(v$_f$)
$+$ H}: {Comparison} of reaction probabilities and
state-to-state collisional delay times for zero and
nonzero total angular momentum",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "45--58",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360808",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Schuch:1989:CBN,
author = "D. Schuch",
title = "Connections between {Newton}- and
{Schr{\"o}dinger}-type equations in the description of
reversible and irreversible dynamics",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "59--72",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360809",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Doll:1989:CMC,
author = "J. D. Doll and Thomas L. Beck and David L. Freeman",
title = "Classical {Monte Carlo} dynamics: {A} simulated
annealing approach to the construction of double-ended
classical trajectories",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "73--78",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360810",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Garcia-Sucre:1989:ENM,
author = "M. Garc{\'\i}a-Sucre and V. Castells",
title = "The effect of nuclear motion on {Berlin} surfaces of a
diatomic fragment in a polyatomic molecule",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "79--88",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360811",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Wang:1989:ASR,
author = "Zhengming Wang and Peter Winkler",
title = "Analytic solution to the resonance problem of screened
{Coulomb} potentials",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "89--94",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360812",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Weatherford:1989:SPA,
author = "Charles A. Weatherford and Gregory Odom and Roy
Tucker",
title = "A study of pseudoresonances in the application of the
{Schwinger} variational principle to electron scattering
from atomic hydrogen",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "95--101",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360813",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kuruoglu:1989:CRH,
author = "Zeki C. Kuruoglu and David A. Micha",
title = "Calculation of resonances in the {H $+$ H$_2$}
reaction using the {Faddeev--AGS} method",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "103--114",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360814",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Sun:1989:DDR,
author = "Qiyan Sun and Joel M. Bowman",
title = "Diatom-diatom reactive scattering in hypercylindrical
coordinates",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "115--126",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360815",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Neto:1989:HCS,
author = "J. J. Soares Neto and S{\o}ren B. Padkj{\'e}r and Jan
Linderberg",
title = "Hyperspherical coordinates in the study of
rovibrational levels of {H$^+_3$} and its isotopomers",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "127--136",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360816",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Koizumi:1989:TSR,
author = "Hiroyasu Koizumi and George C. Schatz",
title = "Transition state resonances in collinear {O($^3$P)
$+$ HCl $\rightarrow$ OH $+$ Cl}",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "137--145",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360817",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Brandas:1989:SAI,
author = "E. J. Br{\"a}ndas and C. A.
Chatzidimitriou-Dreismann",
title = "Some aspects on ionic conductance and proton transfer
reactions in aqueous solutions",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "147--151",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360818",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Chatzidimitriou-Dreismann:1989:PED,
author = "C. A. Chatzidimitriou-Dreismann",
title = "Proposed experiments for the detection of
coherent--dissipative structures around {H$^+$} ions in
aqueous solutions",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "153--158",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360819",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Avery:1989:NAQ,
author = "John Avery and Frank Antonsen",
title = "A new approach to the quantum mechanics of atoms and
small molecules",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "159--168",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360820",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Alexander:1989:CNW,
author = "S. A. Alexander and R. L. Coldwell",
title = "Constructing a nuclear wavefunction with splines",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "169--181",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360821",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Sandoval:1989:OAR,
author = "L. Sandoval and A. Palma and F. Rivas-Silva",
title = "Operator algebra and recurrence relations for the
{Franck--Condon} factors",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "183--186",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360822",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Bloor:1989:ICH,
author = "John E. Bloor",
title = "Ab initio calculation of harmonic vibrational
frequencies and intensities of molecules containing
atoms of the third period of the periodic table. {I}.
hydrogen sulfide and sulfur dioxide",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "187--197",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360823",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lee:1989:DDQ,
author = "Timothy J. Lee and Peter R. Taylor",
title = "A diagnostic for determining the quality of
single-reference electron correlation methods",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "199--207",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360824",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Ishikawa:1989:NOC,
author = "Yasuyuki Ishikawa and I. L. Aponte-Avellanet and S. A.
Alexander",
title = "Numerical orbital calculations using nonuniform
grids",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "209--215",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360825",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Umrigar:1989:TAQ,
author = "C. J. Umrigar",
title = "Two aspects of quantum {Monte Carlo}: {Determination}
of accurate wavefunctions and determination of
potential energy surfaces of molecules",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "217--230",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360826",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Head:1989:GTE,
author = "John D. Head and Susil J. Silva",
title = "A guide to two-electron integral approximations
through semiorthogonal basis sets",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "231--244",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360827",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Thakkar:1989:MEE,
author = "Ajit J. Thakkar and Ward A. Pedersen",
title = "{Maclaurin} expansions of the electron momentum
densities of linear molecules",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "245--253",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360828",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Cioslowski:1989:DDS,
author = "J. Cioslowski",
title = "Density driven self-consistent field method. {II}.
Construction of all one-particle wavefunctions that are
orthonormal and sum up to a given density",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "255--262",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360829",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Ley-Koo:1989:UTT,
author = "E. Ley-Koo and Carlos F. Bunge",
title = "Use of truncated {Taylor} series for $r^{-1}_{12}$ in
electronic structure calculations",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "263--268",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360830",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Gill:1989:EAG,
author = "Peter M. W. Gill and Martin Head-Gordon and John A.
Pople",
title = "An efficient algorithm for the generation of
two-electron repulsion integrals over {Gaussian} basis
functions",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "269--280",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360831",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Mayer:1989:BFS,
author = "I. Mayer and P. R. Surj{\'a}n and {\'A}. Vib{\'O}k",
title = "{BSSE}-free {SCF} methods for intermolecular
interactions",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "281--290",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360832",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Head-Gordon:1989:QCS,
author = "Martin Head-Gordon and John A. Pople and Michael J.
Frisch",
title = "Quadratically convergent simultaneous optimization of
wavefunction and geometry",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "291--303",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360833",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Arteca:1989:TAC,
author = "Gustavo A. Arteca and Paul G. Mezey",
title = "Two approaches to the concept of chemical species:
{Relations} between potential energy and molecular
shape",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "305--320",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360834",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Ortiz:1989:EPC,
author = "J. V. Ortiz",
title = "Electron propagator calculations with nondiagonal
partial fourth-order self-energies and unrestricted
{Hartree--Fock} reference states",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "321--332",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360835",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Brenner:1989:CMI,
author = "Donald W. Brenner and C. T. White and Mark L. Elert
and Franklin E. Walker",
title = "Chemical model for intrinsic detonation velocities",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "333--337",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360836",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Sekino:1989:RDP,
author = "Hideo Sekino and Yasuyuki Ishikawa",
title = "Relativistic diagrammatic perturbation theory
calculations on neon atom",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "339--344",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360837",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Almlof:1989:DE,
author = "Jan Alml{\"o}f and Bradley J. Deleeuw and Peter R.
Taylor and Charles W. {Bauschlicher, Jr.} and Per
Siegbahn",
title = "The dissociation energy of {N$_2$}",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "345--354",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360838",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Campoy:1989:IBN,
author = "G. Campoy and A. Palma and L. Sandoval",
title = "The inversion barrier in {NH$_3$}",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "355--361",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360839",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Frisch:1989:ESE,
author = "Michael J. Frisch and Janet E. {Del Bene}",
title = "The electronic structure and electrostatics of nitrous
oxide",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "363--369",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360840",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{DelBene:1989:ISS,
author = "Janet E. {Del Bene} and Michael J. Frisch",
title = "An ab initio study of the structures and stabilities
of the complexes of the bases {N$_2$O}, {CO$_2$}, and
{CO} with the acids {FH}, {H$^+$}, and {Li$^+$}",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "371--380",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360841",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Bouman:1989:LRC,
author = "Thomas D. Bouman and Aage E. Hansen",
title = "Linear response calculations of molecular optical and
magnetic properties using program {RPAC}: {NMR}
shielding tensors of pyridine and n-azines",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "381--396",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360842",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Ferris:1989:CBP,
author = "Kim F. Ferris and C. B. Duke",
title = "Chemical bonding in phosphonitrilic systems ---
comparison of the electronic structures of
{(F$_2$PN)$_3$}, {(F$_2$PN)$_4$}, and
{OP(F$_2$)NP(F$_2$)NPF$_3$}",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "397--407",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360843",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Shim:1989:CGI,
author = "I. Shim and K. A. Gingerich",
title = "The chromium-group {IV} molecules {CrC}, {CrSi}, and
{CrGe}: {An} all-electron ab initio {HF--CI} study",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "409--419",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360844",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Niesar:1989:PON,
author = "U. Niesar and G. Corongiu and M.-J. Huang and M.
Dupuis and E. Clementi",
title = "Preliminary observations on a new water--water
potential",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "421--443",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360845",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{DelBene:1989:CMD,
author = "Janet E. {Del Bene} and Isaiah Shavitt",
title = "Comparison of methods for determining the correlation
contribution to hydrogen bond energies",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "445--452",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360846",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Osapay:1989:SBS,
author = "K. {\"O}sapay and L. Hevesi and J. Delhalle",
title = "A study of the basis set dependence of the geometry
and proton affinity for a series of vinyl ethers and
vinyl sulfides",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "453--463",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360847",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Jones:1989:MMO,
author = "L. F. Jones and D. D. Shillady and A. Duong and L. B.
Kier",
title = "A multiconfigurational molecular orbital study of
{N}-methyl oxatriazole",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "465--471",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360848",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Wheeler:1989:TSP,
author = "Dale E. Wheeler and Leszek Czuchajowski and W. Daniel
Edwards",
title = "Theoretical studies of phenol disubstituted
porphyrins",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "473--482",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360849",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Padilla:1989:TSS,
author = "L. Padilla and R. Contreras and A. Aizman",
title = "Theoretical study of solvent effects in the 1,3
rearrangement in the allyl--fluoride system in polar
media",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "483--488",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360850",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Cundari:1989:MOI,
author = "Thomas R. Cundari and Russell S. Drago",
title = "A molecular orbital investigation of
{Ru}--oxo-catalyzed alcohol oxidations",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "489--499",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360851",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Guangju:1989:TSC,
author = "Chen Guangju and Fang Decai and Fu Xiaoyuan",
title = "Theoretical studies on the cycloaddition reaction of
ethylene and formaldehyde",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "501--508",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360852",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Castillo:1989:TSP,
author = "S. Castillo and E. Poulain and O. Novaro",
title = "A theoretical study of the photochemistry of
methylcopper hydride. {Activation} of the
carbon-hydrogen bond",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "509--520",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360853",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Echenique:1989:ISI,
author = "P. M. Echenique and I. Nagy and A. Arnau",
title = "Interaction of slow ions with matter",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "521--543",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360854",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Peek:1989:MEM,
author = "James M. Peek",
title = "Molecular effects on mean excitation energies",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "545--552",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360855",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Smith:1989:FRB,
author = "Vedene H. {Smith, Jr.}",
title = "On a functional relationship between {Compton}
profiles and stopping powers",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "553--555",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360856",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Oddershede:1989:OIK,
author = "Jens Oddershede and John R. Sabin",
title = "On the orbital implementation of the kinetic theory of
stopping",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "557--563",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360857",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Bichsel:1989:ESD,
author = "Hans Bichsel and T. Hiraoka",
title = "Energy spectra and depth-dose curves for {70 MeV}
protons",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "565--574",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360858",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Cui:1989:MDS,
author = "S. T. Cui and R. E. Johnson",
title = "A molecular dynamics study of ejection of molecules
from a vibrationally excited ``track'' in an amorphous
solid",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "575--582",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360859",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Morrison:1989:EDM,
author = "Robert C. Morrison",
title = "An explicit density matrix functional of the {$(N -
1)$}-particle system when the {$N$}-particle system is
known",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "583--590",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360860",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Csavinszky:1989:VDF,
author = "P. Csavinszky",
title = "A variational density-functional calculation of the
total atomic binding energy with recently proposed
kinetic-energy and exchange-energy functionals",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "591--597",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360861",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Becke:1989:BSF,
author = "Axel D. Becke",
title = "Basis-set-free density-functional quantum chemistry",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "599--609",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360862",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Kohn:1989:DFT,
author = "W. Kohn and E. K. U. Gross and L. N. Oliveira",
title = "Density functional theory for superconductors",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "611--615",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360863",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Levy:1989:ACS,
author = "Mel Levy",
title = "Asymptotic coordinate scaling bound for
exchange-correlation energy in density-functional
theory",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "617--619",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360864",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Ladik:1989:TCH,
author = "J{\'a}nos J. Ladik and Peter Saalfrank and Richard F.
Wood",
title = "Theoretical considerations on high {T$_c$}
superconductivity",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "621--630",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360865",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Geldart:1989:EIS,
author = "D. J. W. Geldart and M. Rasolt",
title = "Effective interactions, structure factors, and
nonlocal correlations in many-electron systems",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "631--639",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360866",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Tanaka:1989:ESR,
author = "Kazuyoshi Tanaka and Masahiro Kobashi and Tokio
Yamabe",
title = "Electronic structures and ring currents in planar
carbon microcluster models",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "641--649",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360867",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Sim:1989:MLC,
author = "Fiona Sim and C. R. A. Catlow",
title = "{Mott--Littleton} calculations on defects in
$\alpha$-quartz",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "651--675",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360868",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Scolfaro:1989:NDT,
author = "Luisa M. R. Scolfaro and A. Fazzio",
title = "Native defects and transition metal impurities at
interstitial sites in {GaAs}",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "677--685",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360869",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Mola:1989:AIM,
author = "E. E. Mola and L. Blum",
title = "The adsorption of incommensurate monolayers on an
hexagonal substrate: {Lead} underpotentially deposited
on silver (111)",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "687--692",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360870",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{DaSilva:1989:HPS,
author = "E. C. F. {Da Silva} and L. V. C. Assali and J. R.
Leite",
title = "Hydrogen passivation of shallow donors in silicon",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "693--699",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360871",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lino:1989:ESM,
author = "A. T. Lino and J. R. Leite and L. V. C. Assali and V.
M. S. Gomes",
title = "Electronic states of {Mn$_4$} complex cluster in
silicon",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "701--708",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360872",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lima:1989:MST,
author = "Gilson A. R. Lima and Adalberto Fazzio and Ronaldo
Mota",
title = "Metal-semiconductor transition in cerium hydrides",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "709--716",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360873",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Lea:1989:QMW,
author = "M. J. Lea and N. H. March",
title = "Quantum-mechanical {Wigner} electron crystallization
with and without magnetic fields",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "717--729",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360874",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Buckingham:1989:ACH,
author = "A. D. Buckingham",
title = "{Andrew Crowther Hurley}: {Introductory} remarks",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "XXXI--XXXIII",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360803",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Ohrn:1989:Ib,
author = "N. Y. {\"O}hrn and J. R. Sabin and M. C. Zerner",
title = "Introduction",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "IX--X",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360802",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Article{Anonymous:1989:Mn,
author = "Anonymous",
title = "Masthead",
journal = j-IJQC,
volume = "36",
number = "S23",
pages = "i--i",
day = "1--8",
month = apr,
year = "1989",
CODEN = "IJQCB2",
DOI = "https://doi.org/10.1002/qua.560360801",
ISSN = "0020-7608 (print), 1097-461X (electronic)",
ISSN-L = "0020-7608",
bibdate = "Tue Oct 11 17:18:33 MDT 2011",
bibsource = "http://www.interscience.wiley.com/jpages/0020-7608;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
http://www3.interscience.wiley.com/journalfinder.html",
note = "Supplement: Proceedings of the International Symposium
on Quantum Biology and Quantum Pharmacology.",
acknowledgement = ack-nhfb,
ajournal = "Int. J. Quantum Chem.",
fjournal = "International Journal of Quantum Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0020-7608/",
onlinedate = "19 Jun 2009",
}
@Book{Adamson:1964:UPC,
author = "Arthur W. Adamson",
title = "Understanding physical chemistry; a set of simple yet
difficult examination questions and their methods of
solution",
publisher = pub-BENJAMIN,
address = pub-BENJAMIN:adr,
pages = "xix + 489 (two volumes)",
year = "1964",
LCCN = "QD453 .A26",
bibdate = "Mon Oct 3 14:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
acknowledgement = ack-nhfb,
subject = "Chemistry, Physical and theoretical",
tableofcontents = "pt. 1. Properties of matter, thermodynamics,
chemical equilibrium.--pt. 2. Electrochemistry,
kinetics, structure, and bonding",
}
@Book{Adamson:1969:UPC,
author = "Arthur W. Adamson",
title = "Understanding physical chemistry",
publisher = pub-BENJAMIN,
address = pub-BENJAMIN:adr,
edition = "2d",
pages = "xiii + 516",
year = "1969",
ISBN = "0-8053-0127-5",
ISBN-13 = "978-0-8053-0127-4",
LCCN = "QD456 .A3 1969",
bibdate = "Mon Oct 3 14:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
acknowledgement = ack-nhfb,
subject = "Chemistry, Physical and theoretical; Problems,
exercises, etc",
}
@Book{Stanley:1971:IPT,
author = "H. Eugene (Harry Eugene) Stanley",
title = "Introduction to phase transitions and critical
phenomena",
publisher = pub-CLARENDON,
address = pub-CLARENDON:adr,
pages = "xx + 308 + 3",
year = "1971",
ISBN = "0-19-851257-0",
ISBN-13 = "978-0-19-851257-8",
LCCN = "QC307 .S7 1971",
bibdate = "Mon Oct 3 16:23:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "The International series of monographs on physics",
acknowledgement = ack-nhfb,
remark = "Text on lining paper. Errata slip inserted.",
subject = "Phase transformations (Statistical physics); Critical
phenomena (Physics)",
}
@Book{Fraga:1979:AEL,
author = "Serafin Fraga and K. M. S. Saxena and Jacek
Karwowski",
title = "Atomic energy levels: data for parametric
calculations",
volume = "4",
publisher = pub-ELSEVIER,
address = pub-ELSEVIER:adr,
pages = "ix + 482",
year = "1979",
ISBN = "0-444-41838-5",
ISBN-13 = "978-0-444-41838-8",
LCCN = "QC454.A8 F73",
bibdate = "Mon Oct 3 15:51:58 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
price = "fl 95.00",
series = "Physical sciences data",
acknowledgement = ack-nhfb,
subject = "Atomic spectroscopy; Tables; Energy levels (Quantum
mechanics)",
}
@Book{Pauncz:1979:SEC,
author = "Ruben Pauncz",
title = "Spin Eigenfunctions: Construction and Use",
publisher = pub-PLENUM,
address = pub-PLENUM:adr,
pages = "xv + 370",
year = "1979",
ISBN = "0-306-40141-X",
ISBN-13 = "978-0-306-40141-1",
LCCN = "QD462.P38",
bibdate = "Sat Jul 25 13:55:27 1998",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
https://www.math.utah.edu/pub/tex/bib/master.bib",
acknowledgement = ack-nhfb,
tableofcontents = "1. Introduction / 1 \\
1.1. Electronic States with Definite Multiplicities / 1
\\
1.2. Basic Facts with Respect to the Spin / 4 \\
1.3. Spin Operators and Functions for One Electron / 5
\\
1.4. Addition Theorem of Angular Momenta / 7 \\
References / 8 \\
2: Construction of Spin Eigenfunctions from the
Products of One-Electron Spin Functions / 9 \\
2.1. The Resultant Spin Operator and the Dirac Identity
/ 9 \\
2.2. Eigenfunctions of $S_z$ / 11 \\
2.3. Construction of $S^2$ Eigenfunctions by the
Diagonalization of the $S^2$ Matrix / 14 \\
2.4. Construction of $S^2$ Eigenfunctions by the
Orthogonalization Procedure / 16 \\
2.5. Dimension of the Spin Degeneracy / 17 \\
2.6. Genealogical Construction of Spin Eigenfunctions /
19 \\
2.7. Branching Diagram / 21 \\
2.8. Orthogonality of the Branching -Diagram Functions
/ 22 \\
2.9. Special Properties of the Branching-Diagram
Functions / 23 \\
2.10. Ordering of the Primitive Spin Functions; the
Path Diagram / 25 \\
2.11. Expression for $X(N, S, S; 1)$ / 28 \\
2.12. Expression for $X(N, S, S; f)$ / 29 \\
2.13. The Coefficient of a Primitive Spin Function in a
Given Branching-Diagram Function / 30 \\
References / 32 \\
3. Construction of Spin Eigenfunctions from the
Products of Two-Electron Spin Eigenfunctions / 33 \\
3.1. Serber-Type Construction of Spin Eigenfunctions /
33 \\
3.2. Formulas for the Serber Construction / 34 \\
3.3. Geminal Spin Product Functions; Serber Path
Diagram / 36 \\
3.4. Special Properties of the Serber Functions / 38
\\
3.5. The Coefficient of a Geminal Product Function in a
Given Serber Function / 41 \\
3.6. The Algorithm of Carrington and Doggett / 43 \\
3.7. Construction of Serber-Type Functions by Direct
Diagonalization of the $S^2$ Matrix / 43 \\
3.7.1. $S^2$ Matrix for an Even Number of Electrons /
44 \\
3.7.2. $S^2$ Matrix for an Odd Number of Electrons / 45
\\
3.8. Construction of Spin Eigenfunctions from Those of
Two Subsystems / 46 \\
References / 48 \\
4. Construction of Spin Eigenfunctions by the
Projection Operator Method / 49 \\
4.1. Projection Operator Method / 49 \\
4.1.1. Trial Function / 49 \\
4.1.2. The Projection Operator / 50 \\
4.2. The Projection of the First Primitive Function /
52 \\
4.3. The Projection of an Arbitrary Primitive Spin
Function / 56 \\
4.4. The Choice of Spin Functions Whose Projections Are
Linearly Independent / 56 \\
4.5. Relation between the Projected Functions and the
Branching-Diagram Functions / 60 \\
4.6. Projected Functions for $S > M$; Sanibel
Coefficients / 61 \\
4.7. Sasaki and Ohno's Derivation of the Sanibel
Coefficients / 63 \\
4.8. Derivation of the Sanibel Coefficients from the
Vector-Coupling Coefficients / 67 \\
4.9. Sanibel Coefficients by the Group Theoretical
Projection Operator Method / 68 \\
4.10. The Construction of Serber-Type Functions by the
Projection Operator Method / 71 \\
4.11. The Overlap Matrix of the Projected Spin
Functions / 74 \\
References / 75 \\
5. Spin-Paired Spin Eigenfunctions / 77 \\
5.1. Spin-Paired Spin Eigenfunctions / 77 \\
5.2. Extended Rumer Diagrams / 79 \\
5.3. Linear Independence of Extended Rumer Functions /
80 \\
5.4. The Relation between Rumer Functions and
Branching-Diagram Functions / 82 \\
5.5. The Relation between Rumer Functions and
Serber-Type Functions / 83 \\
5.6. Matrix Elements between the Spin-Paired Functions
/ 86 \\
5.6.1. Islands / 87 \\
5.6.2 O Chain / 87 \\
5.6.3 E Chain / 88 \\
References / 89 \\
6. Basic Notions of the Theory of the Symmetric Group /
91 \\
6.1. Introduction / 91 \\
6.2. Permutations; Cyclic Structure / 91 \\
6.3. Young Frames; Young Tableaux / 96 \\
6.4. The Symmetric Group Algebra: Young Operators / 97
\\
6.4.1. Young Operators / 99 \\
6.4.2. Ordering of the Standard Tableaux / 100 \\
6.4.3. Yamanouchi Symbol / 100 \\
6.4.4. The Young Operator $E_{r s}^\alpha$ / 103 \\
6.4.5. Alternative Definition or the Young Operators /
105 \\
6.5. Representations of the Symmetric Group / 106 \\
6.5.1. Young's Orthogonal Representation / 106 \\
6.5.2. Young's Natural Representation / 107 \\
6.6. Matric Basis of the Symmetric Group Algebra / 109
\\
6.6.1. Calculation of the Characters of the Symmetric
Group / 111 \\
6.6.2. Matsen's Method for the Construction of Matric
Units / 112 \\
6.6.3. Salmon's Method for the Construction of Matric
Units / 114 \\
References / 115 \\
7. Representations of the Symmetric Group Generated by
the Spin Eigenfunctions / 117 \\
7.1. Introduction / 117 \\
7.2. The Genealogical Spin Functions Generate a
Representation of the Symmetric Group / 117 \\
7.3. Recursive Construction of the Representation
Matrices: Yamanouchi--Kotani Method / 120 \\
7.3.1. Permutations That Do Not Affect the Last Number
$N$ / 120 \\
7.3.2. The Transposition $(N - 1, N)$ / 122 \\
7.4. Relation between the Yamanouchi--Kotani
Representation and the Young Orthogonal Representation
/ 124 \\
7.4.1. Dimension of the Representation / 124 \\
7.4.2. One-to-One Correspondence between the Young
Tableaux and Branching-Diagram Functions / 125 \\
7.4.3. Identity of the Young Orthogonal and the
Yamanouchi--Kotani Representation / 126 \\
7.5. Construction of the Spin Functions from the
Representation Matrices / 129 \\
7.6. Construction of the Branching-Diagram Functions by
Use of the Matric Units / 131 \\
7.6.1. Conditions for Nonvanishing $e_{i i}^\alpha
\theta$ / 133 \\
7.6.2. The Character Projection Operator / 134 \\
7.6.3. Construction of the Branching-Diagram Functions
by Use of the Matric Units; Salmon's Procedure / 136
\\
7.7. Representation of the Symmetric Group Generated by
the Serber-Type Spin Functions / 138 \\
7.7.1. Direct Method for the Calculation of the
Representation Matrix / 138 \\
7.7.2. Recursive Calculation of the Representation
Matrix / 139 \\
7.8. The Relation between the Serber and the
Young--Yamanouchi Representations. / 141 \\
7.8.1. The Transformation Matrix / 141 \\
7.8.2. Recursive Construction of the Transformation
Matrix / 142 \\
7.9. Matric Basis of the Serber Representation / 145
\\
7.10. Representation Generated by the Spin-Coupled
Functions / 147 \\
7.11. Relation between the Young--Yamanouchi and the
Reduced Representations / 149 \\
References / 151 \\
8. Representations of the Symmetric Group Generated by
the Projected Spin Functions and Valence Bond Functions
/ 153 \\
8.1. Introduction / 153 \\
8.2. Representation Generated by the Projected Spin
Functions / 153 \\
8.3. Construction of the Projected Spin Functions by
the Use of the Young Operator / 156 \\
8.4. Construction of the Projected Spin Functions by
the Character Projection Operator / 158 \\
8.5. Representation Generated by the Rumer Functions /
159 \\
8.6. Construction of the Spin-Paired Functions from the
Alternative Young Operators / 160 \\
8.7. The Linear Independence of $V_f$'s and Their
Relation to the Genealogical Functions / 162 \\
References / 163 \\
9. Combination of Spatial and Spin Functions;
Calculation of the Matrix Elements of Operators / 165
\\
9.1. Introduction / 165 \\
9.2. Construction of Antisymmetric Wave Function / 165
\\
9.3. Separation of $\Psi_i$ into Spatial and Spin
Functions / 168 \\
9.4. The Spatial Functions $\Phi_{j,i}^S$ Generate a
Representation of $S_N$ / 169 \\
9.5. Calculation of the Matrix Elements of the
Hamiltonian / 172 \\
9.6. Computational Aspects of the Basic Formulas / 175
\\
9.7. The Form of the Spatial Function $\Phi$ / 177 \\
References / 179 \\
10. Calculation of the Matrix Elements of the
Hamiltonian; Orthogonal Spin Functions / 181 \\
10.1. Introduction / 181 \\
10.2. Spatial Functions with a Number of Doubly
Occupied Orbitals; Branching-Diagram Spin Functions /
181 \\
10.3. Calculation of the Energy Matrix / 185 \\
10.3.1. Alternative Method for the Calculation of the
Invariant Part / 189 \\
10.3.2. Calculation of the Energy Matrix for the Case
of Orthogonal Orbitals / 189 \\
10.4. Matrix Elements of the Hamiltonian for
Serber-Type Spin Functions 1 / 92 \\
10.4.1. Notation for the Spatial Functions / 192 \\
10.4.2. Geminal Spin Harmonics / 192 \\
10.4.3. Normalization Integral / 193 \\
10.4.4. The Lineup Permutation / 194 \\
10.4.5. The Wave Functions Form an Orthonormal Set /
194 \\
10.4.6. The Form of the Hamiltonian / 195 \\
10.4.7. Reduction of the Sum over the Permutations /
196 \\
10.4.8. Reduction of the Sum over Electron Pairs / 197
\\
10.4.9. Matrix Elements of the Hamiltonian / 198 \\
10.5. Calculation of the Matrix Elements of the
Hamiltonian for Spin-Coupled Wave Functions / 200 \\
10.6. Calculation of the Energy for a Single
Configuration / 203 \\
10.6.1. One-Electron Operators / 203 \\
10.6.2. Two-Electron Operators / 205 \\
References / 207 \\
11. Calculation of the Matrix Elements of the
Hamiltonian; Nonorthogonal Spin Functions / 209 \\
11.1. Introduction / 209 \\
11.2. A Single Configuration; Projected Spin Function /
209 \\
11.3. Different Orbitals for Different Spins / 211 \\
11.3.1. Alternant Molecular Orbitals / 212 \\
11.3.2. Calculation of the Normalization Integral / 212
\\
11.4. Many-Configuration Wave Function; Projection
Operator Method / 213 \\
11.4.1. The Reference Permutation / 214 \\
11.4.2. Summation over the Subgroup $S_v$ / 215 \\
11.4.3. The Spatial Integrals / 216 \\
11.4.4. Matrix Elements / 217 \\
11.5. Many-Configuration Wave Function; Bonded
Functions / 219 \\
11.5.1. The Matching Rearrangement / 220 \\
11.5.2. The Effect of Double Occupancy / 220 \\
11.5.3. Matrix Elements of the Spin Functions / 221 \\
11.5.4. Matrix Elements of the Transpositions / 222 \\
11.5.5. Matrix Element of the Hamiltonian between Two
Functions / 223 \\
11.5.6. Matrix Elements in Terms of Bonded Functions /
224 \\
References / 227 \\
12. Spin-Free Quantum Chemistry / 229 \\
12.1. Introduction / 229 \\
12.2. The Decomposition of the Antisymmetrizer / 230
\\
12.3. Spin-Free Hamiltonian / 232 \\
12.4. Construction of Spatial Functions $\Phi_{i
k}^\nu$ / 233 \\
12.5. Invariance Group of the Primitive Ket / 234 \\
12.6. The Coset Representation Generated by the
Invariance Group / 235 \\
12.6.1. Decomposition of the Vector Space $V(\phi)$ /
237 \\
12.6.2. Factorization of the Secular Equations / 239
\\
12.7. Construction of the Invariant Subspaces by Means
of the Orthogonal Units / 240 \\
12.7.1. The Immanant Function / 240 \\
12.7.2. The Antisymmetric Space Spin Counterpart of the
Immanant / 244 \\
12.8. Structure Projections / 246 \\
12.8.1. The Pair Diagram / 246 \\
12.8.2. The Pair Operators / 247 \\
12.8.3. Construction of Spin-Free Pair Functions / 250
\\
12.8.4. Pair Projections in the Function Space / 250
\\
12.8.5. Spin-Free Exclusion Principle / 251 \\
12.9. Matrix Elements of the Hamiltonian over the
Structure Projections / 252 \\
12.10. Spin-Free Counterpart of the Projected Function
/ 256 \\
12.11. Gallup's Formulation of Spin-Free Quantum
Chemistry / 259 \\
12.12. Calculation of Pauling Numbers / 263 \\
References / 265 \\
13. Matrix Elements of the Hamiltonian and the
Representation of the Unitary Group / 267 \\
13.1. Introduction / 267 \\
13.2. Formulation of the Hamiltonian / 267 \\
13.3. Basic Notions about the Unitary Group / 270 \\
13.4. Irreducible Representations of the Unitary Group
/ 272 \\
13.4.1. The Gel'fand--Tsetlin Representation of the
Generator Algebra / 273 \\
13.4.2. Group-Theoretical Meaning of the Gel'fand
Pattern / 275 \\
13.5. The Representation Matrices of $E_{i j}$'s / 275
\\
13.5.1. The Diagonal Generators $E_{i i}$ / 276 \\
13.5.2. The Raising Generators $E_{i j} (i < j)$ / 277
\\
13.5.3. The Lowering Generators $E_{j i} (i < j)$ / 278
\\
13.5.4. Gel'fand--Tsetlin Formula for the Matrix of
$E_{i, i + 1}$ / 278 \\
13.6. Weyl Tableaux / 280 \\
13.7. The $N$th-Rank Tensor Space and Its Decomposition
into Invariant Subspaces / 282 \\
13.8. Exclusion Principle and Gel'fand States / 286 \\
13.9. Matrix Elements of the Generators for Paldus
Tableaux / 289 \\
13.9.1. Basis Generation / 289 \\
13.9.2. Matrix Elements of the Generators / 290 \\
13.10. Matrix Element of the Generators; Downward-Robb
Algorithm / 291 \\
13.10.1. Basis Generation / 292 \\
13.10.2. Eigenvalues of the Diagonal Generators / 297
\\
13.10.3. Generators $E_{i j}$ / 297 \\
13.11. Graphical Representation of the Basis Functions;
Relation to the Configuration Interaction Method / 298
\\
References / 299 \\
Appendix 1. Some Basic Algebraic Notions / 301 \\
A.1.1. Introduction / 301 \\
A.1.2. Frobenius or Group Algebra; Convolution Algebra
/ 301 \\
A.1.2.1. Invariant Mean / 302 \\
A.1.2.2. Frobenius or Group Algebra / 302 \\
A.1.2.3. Convolution Algebra / 303 \\
A.1.3. Some Algebraic Notions / 303 \\
A.1.4. The Centrum of the Algebra / 304 \\
A.1.5. Irreducible Representations; Schur's Lemma / 309
\\
A.1.6. The Matric Basis / 310 \\
A.1.7. Symmetry Adaptation / 314 \\
A.1.8. Wigner--Eckart Theorem / 315 \\
References / 316 \\
Appendix 2. The Coset Representation / 317 \\
A.2.1. Introduction / 317 \\
A.2.2. The Character of an Element $g$ in the Coset
Representation / 318 \\
Appendix 3. Double Coset / 321 \\
A.3.1. The Double Coset Decomposition / 321 \\
A.3.2. The Number of Elements in a Double Coset / 323
\\
Appendix 4. The Method of Spinor Invariants / 325 \\
A.4.1. Spinors and Their Transformation Properties /
325 \\
A.4.2. The Method of Spinor Invariants / 326 \\
A.4.3. Construction of the Genealogical Spin Functions
by the Method of Spinor Invariants / 326 \\
A.4.4. Normalization Factors / 327 \\
A.4.5. Construction of the Serber Functions by the
Method of Spinor Invariants / 329 \\
A.4.6. Singlet Functions as Spinor Invariants / 332 \\
References / 332 \\
Appendix 5. Construction of Total Wave Functions That
Are Eigenfunctions of $S^2$ by the Method of Second
Quantization / 333 \\
A.5.1. The Formalism of Second Quantization / 333 \\
A.5.2. Representation of the Spin Operators in the
Second-Quantization Formalism / 335 \\
A.5.3. Review of the Papers That Use the
Second-Quantization Formalism for the Construction of
Spin Eigenfunctions / 336 \\
A.5.3.1. Genealogical Construction / 336 \\
A.5.3.2. Projection Operator Method / 337 \\
A.5.3.3. Valence Bond Method / 337 \\
A.5.3.4. The Occupation-Branching-Number Representation
/ 337 \\
References / 338 \\
Appendix 6. Table of Sanibel Coefficients / 339 \\
Reference / 341 \\
Bibliography / 343 \\
Author Index / 363 \\
Subject Index 367",
}
@Book{Pethig:1979:DEP,
author = "Ronald Pethig",
title = "Dielectric and electronic properties of biological
materials",
publisher = pub-WILEY,
address = pub-WILEY:adr,
pages = "xiv + 376",
year = "1979",
ISBN = "0-471-99728-5",
ISBN-13 = "978-0-471-99728-3",
LCCN = "QH517 .P47",
bibdate = "Mon Oct 3 15:10:14 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
acknowledgement = ack-nhfb,
subject = "Electrophysiology; Dielectrics; Macromolecules;
Electric properties",
}
@Book{Setser:1979:RIG,
editor = "D. W. Setser",
title = "Reactive intermediates in the gas phase: generation
and monitoring",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "x + 358",
year = "1979",
ISBN = "0-12-637450-3",
ISBN-13 = "978-0-12-637450-6",
LCCN = "QD501 .R346",
bibdate = "Mon Oct 3 16:14:31 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
acknowledgement = ack-nhfb,
subject = "Chemical reaction, Conditions and laws of;
Intermediates (Chemistry)",
}
@Book{Wieting:1979:EPL,
editor = "T. J. Wieting and Michael Schl{\"u}ter",
title = "Electrons and phonons in layered crystal structures",
volume = "3",
publisher = pub-REIDEL,
address = pub-REIDEL:adr,
pages = "x + 474",
year = "1979",
ISBN = "90-277-0841-X, 90-277-0897-5",
ISBN-13 = "978-90-277-0841-0, 978-90-277-0897-7",
LCCN = "QD921 .E5",
bibdate = "Mon Oct 3 15:25:28 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "Physics and chemistry of materials with layered
structures",
acknowledgement = ack-nhfb,
subject = "Layer structure (Solids); Electrons; Phonons",
}
@Book{Adamson:1980:UPC,
author = "Arthur W. Adamson",
title = "Understanding physical chemistry",
publisher = pub-BENCUM,
address = pub-BENCUM:adr,
edition = "3d",
pages = "xii + 482",
year = "1980",
ISBN = "0-8053-0128-3",
ISBN-13 = "978-0-8053-0128-1",
LCCN = "QD456 .A3 1980",
bibdate = "Mon Oct 3 14:45:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
acknowledgement = ack-nhfb,
subject = "Chemistry, Physical and theoretical; Problems,
exercises, etc",
}
@Book{Carsky:1980:ICM,
author = "Petr {\v{C}}{\'a}rsky and Miroslav Urban",
title = "Ab initio calculations: methods and applications in
chemistry",
volume = "16",
publisher = pub-SV,
address = pub-SV:adr,
pages = "vi + 247",
year = "1980",
ISBN = "3-540-10005-9, 0-387-10005-9",
ISBN-13 = "978-3-540-10005-8, 978-0-387-10005-0",
LCCN = "QD462",
bibdate = "Mon Oct 3 14:21:51 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.gbv.de:20011/gvk",
series = "Lecture notes in chemistry",
acknowledgement = ack-nhfb,
}
@Book{DelRe:1980:ESM,
author = "Giuseppe {Del Re} and Gaston Berthier and Josiane
Serre",
title = "Electronic states of molecules and atom clusters:
foundations and prospects of semiempirical methods",
volume = "13",
publisher = pub-SV,
address = pub-SV:adr,
year = "1980",
ISBN = "3-540-09738-4, 0-387-09738-4",
ISBN-13 = "978-3-540-09738-9, 978-0-387-09738-1",
LCCN = "QD461",
bibdate = "Wed Oct 5 08:24:23 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.bibsys.no:2100/BIBSYS",
series = "Lecture notes in chemistry",
acknowledgement = ack-nhfb,
}
@Book{Malinowski:1980:FAC,
author = "Edmund R. Malinowski and Darryl G. Howery",
title = "Factor analysis in chemistry",
publisher = pub-WILEY,
address = pub-WILEY:adr,
pages = "ix + 251",
year = "1980",
ISBN = "0-471-05881-5",
ISBN-13 = "978-0-471-05881-6",
LCCN = "QD39.3.M3 M34",
bibdate = "Mon Oct 3 15:11:30 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
price = "US\$23.50 (est.)",
URL = "http://www.loc.gov/catdir/enhancements/fy0607/79027081-d.htm;
http://www.loc.gov/catdir/enhancements/fy0607/79027081-t.htm",
acknowledgement = ack-nhfb,
remark = "A Wiley-Interscience publication.",
subject = "Chemistry; Statistical methods; Factor analysis",
}
@Book{Mulliken:1981:PMR,
editor = "Robert Sanderson Mulliken and Walter C. Ermler",
title = "Polyatomic molecules: results of ab initio
calculations",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xvi + 431",
year = "1981",
ISBN = "0-12-509860-X",
ISBN-13 = "978-0-12-509860-1",
LCCN = "QD461 .M79 1981",
bibdate = "Mon Oct 3 15:19:09 MDT 2011",
bibsource = "fsz3950.oclc.org:210/WorldCat;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
}
@Book{Richards:1981:SOC,
author = "W. G. (William Graham) Richards and H. P. Trivedi and
D. L. Cooper",
title = "Spin-orbit coupling in molecules",
publisher = pub-CLARENDON,
address = pub-CLARENDON:adr,
pages = "viii + 105",
year = "1981",
ISBN = "0-19-855614-4",
ISBN-13 = "978-0-19-855614-5",
LCCN = "QD461 .R476 1981",
bibdate = "Wed Oct 5 08:53:14 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "The International series of monographs on chemistry",
acknowledgement = ack-nhfb,
remark = "Microfiche, containing some of the listings of
spin-orbit routines, in pocket.",
subject = "Molecular orbitals; Mathematics; Quantum chemistry",
}
@Book{Csizmadia:1982:MSC,
editor = "I. G. Csizmadia",
title = "Molecular structure and conformation: recent
advances",
volume = "3",
publisher = pub-ELSEVIER,
address = pub-ELSEVIER:adr,
pages = "344",
year = "1982",
ISBN = "0-444-42089-4",
ISBN-13 = "978-0-444-42089-3",
LCCN = "QD461 .M628 1982",
bibdate = "Mon Oct 3 16:29:15 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
price = "fl 220.00 (est.)",
series = "Progress in theoretical organic chemistry",
acknowledgement = ack-nhfb,
subject = "Molecular structure; Physical organic chemistry",
}
@Book{Ohno:1982:QCLa,
author = "Kimio Ohno and Keiji Morokuma",
title = "Quantum chemistry literature data base: bibliography
of ab initio calculations for 1978--1980",
volume = "12",
publisher = pub-ELSEVIER,
address = pub-ELSEVIER:adr,
pages = "ix + 459",
year = "1982",
ISBN = "0-444-42074-6 (vol. 12), 0-444-41689-7 (ensemble)",
ISBN-13 = "978-0-444-42074-9 (vol. 12), 978-0-444-41689-6
(ensemble)",
LCCN = "Z5524.Q35 O38 1982",
bibdate = "Mon Oct 3 14:35:24 MDT 2011",
bibsource = "fsz3950.oclc.org:210/WorldCat;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
series = "Physical sciences data",
acknowledgement = ack-nhfb,
remark = "Les mises {\`a} jour annuelles de cet ouvrage
paraissent dans: Journal of molecular structure.",
subject = "Chimie quantique; Bibliographie; Quantum chemistry;
Bibliography",
}
@Book{Ohno:1982:QCLb,
editor = "Kimio Ohno and Keiji Morokuma",
title = "Quantum chemistry literature data base: supplement 1:
bibliography of ab initio calculations for 1981",
publisher = pub-ELSEVIER,
address = pub-ELSEVIER:adr,
pages = "252",
year = "1982",
ISSN = "0022-2860",
LCCN = "????",
bibdate = "Mon Oct 3 14:35:24 MDT 2011",
bibsource = "fsz3950.oclc.org:210/WorldCat;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
series = "See: Journal of Molecular Structure. Theochem: Vol.
91, Nos. 1--2, 1982",
acknowledgement = ack-nhfb,
remark = "Mise \`a jour de: Ohno, Kimio. Quantum \ldots{}for
1978--1980.",
subject = "Chimie quantique; Bibliographie",
}
@Book{Ohno:1982:QCLc,
editor = "Kimio Ohno and Keiji Morokuma",
title = "Quantum chemistry literature data base. Supplement 1:
bibliography of ab initio calculations for 1981",
volume = "91, no. 1/2; vol. 8",
publisher = pub-ELSEVIER,
address = pub-ELSEVIER:adr,
pages = "252",
year = "1982-1983",
ISSN = "0022-2860",
LCCN = "????",
bibdate = "Mon Oct 3 14:35:24 MDT 2011",
bibsource = "fsz3950.oclc.org:210/WorldCat;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
series = "Journal of molecular structure; Theochem, 0166-1280",
acknowledgement = ack-nhfb,
}
@Book{Stranges:1982:EVD,
author = "Anthony N. (Anthony Nicholas) Stranges",
title = "Electrons and valence: development of the theory,
1900--1925",
publisher = "Texas A\&M University Press",
address = "College Station",
pages = "xii + 291 + 2",
year = "1982",
ISBN = "0-89096-124-7",
ISBN-13 = "978-0-89096-124-7",
LCCN = "QD469 .S73 1982",
bibdate = "Mon Oct 3 14:31:32 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
price = "US\$28.50",
URL = "http://www.loc.gov/catdir/enhancements/fy1003/81048378-b.htm",
acknowledgement = ack-nhfb,
subject = "Valence (Theoretical chemistry)",
}
@Book{Bonchev:1983:ITI,
author = "Danail Bonchev",
title = "Information theoretic indices for characterization of
chemical structures",
volume = "5",
publisher = "Research Studies Press",
address = "Chichester, West Sussex, UK",
pages = "xiv + 249",
year = "1983",
ISBN = "0-471-90087-7",
ISBN-13 = "978-0-471-90087-0",
LCCN = "QD471 .B76 1983",
bibdate = "Mon Oct 3 16:18:13 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
price = "US\$59.00",
series = "Chemometrics series",
acknowledgement = ack-nhfb,
subject = "Chemical structure; Information theory in chemistry",
}
@Book{Ohno:1983:QCL,
editor = "K. (Kimio) Ohno and K. (Keiji) Morokuma",
title = "Quantum chemistry literature data base: Supplement 2,
Bibliography of ab initio calculations for 1982",
volume = "15",
publisher = pub-ELSEVIER,
address = pub-ELSEVIER:adr,
pages = "215",
year = "1983",
ISSN = "0166-1280 (print), 1872-7999 (electronic)",
LCCN = "Z5524.Q35 Q35 1983",
bibdate = "Mon Oct 3 14:35:24 MDT 2011",
bibsource = "fsz3950.oclc.org:210/WorldCat;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
series = "Theochem",
acknowledgement = ack-nhfb,
remark = "Includes indexes.",
subject = "Quantum chemistry; Bibliography",
}
@Book{Craig:1984:MQE,
author = "D. P. Craig and T. Thirunamachandran",
title = "Molecular quantum electrodynamics: an introduction to
radiation-molecule interactions",
volume = "8",
publisher = pub-ACADEMIC,
address = pub-ACADEMIC:adr,
pages = "xi + 324",
year = "1984",
ISBN = "0-12-195080-8",
ISBN-13 = "978-0-12-195080-4",
LCCN = "QC680 .C73 1984",
bibdate = "Mon Oct 3 16:27:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "Theoretical chemistry",
acknowledgement = ack-nhfb,
subject = "Quantum electrodynamics; Molecular dynamics;
Chemistry, Physical and theoretical",
}
@Book{Fischer:1984:VCI,
author = "Gad Fischer",
title = "Vibronic coupling: the interaction between the
electronic and nuclear motions",
publisher = "Academic Press",
address = "London, UK",
pages = "viii + 222",
year = "1984",
ISBN = "0-12-257240-8",
ISBN-13 = "978-0-12-257240-1",
LCCN = "QD461 F45 1984",
bibdate = "Wed Oct 5 09:15:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
library.ox.ac.uk:210/ADVANCE",
acknowledgement = ack-nhfb,
subject = "Chemical bonds; Molecular structure",
}
@Book{Ohno:1984:QCL,
editor = "Kimio Ohno and Keiji Morokuma",
title = "Quantum chemistry literature data base: Supplement 3:
bibliography of ab initio calculations for 1983",
publisher = pub-ELSEVIER,
address = pub-ELSEVIER:adr,
pages = "229",
year = "1984",
LCCN = "????",
bibdate = "Mon Oct 3 14:35:24 MDT 2011",
bibsource = "fsz3950.oclc.org:210/WorldCat;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
subject = "Chimie quantique; Bibliographie",
}
@Book{Daudel:1985:SDM,
editor = "Raymond Daudel and others",
title = "Structure and dynamics of molecular systems",
publisher = pub-REIDEL,
address = pub-REIDEL:adr,
pages = "????",
year = "1985",
ISBN = "90-277-1977-2 (vol. 1), 90-277-2246-3 (vol. 2)",
ISBN-13 = "978-90-277-1977-5 (vol. 1), 978-90-277-2246-1 (vol.
2)",
LCCN = "QD461 .S924 1985",
bibdate = "Mon Oct 3 16:07:54 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
price = "US\$40.00",
acknowledgement = ack-nhfb,
remark = "Invited lectures given at the international seminar of
the same title held at the Centre de m{\'e}canique
ondulatoire appliqu{\'e}e du Centre national de la
recherche scientifique in Paris (France) from October
1983 to May 1985.",
subject = "Molecular structure; Congresses; Molecular dynamics",
}
@Book{Davydov:1985:SMS,
author = "A. S. (Aleksandr Sergeevich) Davydov",
title = "Solitons in molecular systems",
publisher = pub-REIDEL,
address = pub-REIDEL:adr,
pages = "xviii + 319",
year = "1985",
ISBN = "90-277-1854-7",
ISBN-13 = "978-90-277-1854-9",
LCCN = "QC174.26.W28 D38 1985",
bibdate = "Mon Oct 3 15:58:15 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "Mathematics and its applications (Soviet series)",
acknowledgement = ack-nhfb,
subject = "Solitons; Exciton theory; Molecules",
}
@Book{Hinchliffe:1985:ME,
author = "Alan Hinchliffe and Robert W. Munn",
title = "Molecular electromagnetism",
publisher = pub-WILEY,
address = pub-WILEY:adr,
pages = "x + 252",
year = "1985",
ISBN = "0-471-10292-X (hardcover), 0-471-90721-9 (paperback)",
ISBN-13 = "978-0-471-10292-2 (hardcover), 978-0-471-90721-3
(paperback)",
LCCN = "QC760 .H55 1985",
bibdate = "Wed Oct 5 09:05:15 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.libris.kb.se:210/libr;
z3950.loc.gov:7090/Voyager",
price = "UK \pounds 23.00, UK\pounds 12.50",
acknowledgement = ack-nhfb,
subject = "electromagnetism",
}
@Book{Ohno:1985:QCL,
editor = "Kimio Ohno and Keiji Morokuma",
title = "Quantum chemistry literature data base: Supplement 4:
bibliography of ab initio calculations for 1984",
publisher = pub-ELSEVIER,
address = pub-ELSEVIER:adr,
pages = "298",
year = "1985",
LCCN = "????",
bibdate = "Mon Oct 3 14:35:24 MDT 2011",
bibsource = "fsz3950.oclc.org:210/WorldCat;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
subject = "Chimie quantique; Bibliographie",
}
@Book{Poirier:1985:HGB,
author = "Raymond Poirier and Roy Kari and I. G. Csizmadia",
title = "Handbook of {Gaussian} basis sets: a compendium for
ab-initio molecular orbital calculations",
volume = "24",
publisher = pub-ELSEVIER,
address = pub-ELSEVIER:adr,
pages = "xii + 674",
year = "1985",
ISBN = "0-444-42493-8",
ISBN-13 = "978-0-444-42493-8",
LCCN = "QD461 .P63 1985",
bibdate = "Mon Oct 3 16:29:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "Physical sciences data",
acknowledgement = ack-nhfb,
subject = "Molecular orbitals; Gaussian basis sets (Quantum
mechanics)",
}
@Book{Sadlej:1985:SEM,
author = "Joanna Sadlej",
title = "Semi-empirical methods of quantum chemistry",
publisher = pub-ELLIS-HORWOOD,
address = pub-ELLIS-HORWOOD:adr,
pages = "xiv + 386",
year = "1985",
ISBN = "0-85312-167-2, 0-470-27547-2 (Halsted Press)",
ISBN-13 = "978-0-85312-167-1, 978-0-470-27547-4 (Halsted Press)",
LCCN = "QD462 .S2313 1985",
bibdate = "Wed Oct 5 09:31:56 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "Ellis Horwood series in chemical science",
acknowledgement = ack-nhfb,
remark = "Translated from the Polish. Errata slip inserted.",
subject = "Quantum chemistry; Molecular orbitals",
}
@Book{Szasz:1985:PTA,
author = "Levente Szasz",
title = "Pseudopotential theory of atoms and molecules",
publisher = pub-WILEY,
address = pub-WILEY:adr,
pages = "xi + 309",
year = "1985",
ISBN = "0-471-82417-8",
ISBN-13 = "978-0-471-82417-6",
LCCN = "QD461 .S988196 1985",
bibdate = "Mon Oct 3 16:20:12 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
price = "US\$42.50 (est.)",
acknowledgement = ack-nhfb,
remark = "A Wiley-Interscience publication.",
subject = "Atomic theory; Molecular theory; Pseudopotential
method",
}
@Book{Altmann:1986:RQD,
author = "Simon L. Altmann",
title = "Rotations, quaternions, and double groups",
publisher = pub-CLARENDON,
address = pub-CLARENDON:adr,
pages = "xiv + 317",
year = "1986",
ISBN = "0-19-855372-2",
ISBN-13 = "978-0-19-855372-4",
LCCN = "QC174.17.R65 A48 1986",
bibdate = "Wed Oct 5 08:57:17 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "Oxford science publications",
URL = "http://www.loc.gov/catdir/enhancements/fy0639/85013615-d.html",
acknowledgement = ack-nhfb,
subject = "rotation groups; quaternions; finite groups;
representations of groups",
}
@Book{Fleming:1986:CAU,
author = "Graham R. Fleming",
title = "Chemical applications of ultrafast spectroscopy",
volume = "13",
publisher = pub-OXFORD,
address = pub-OXFORD:adr,
pages = "ix + 262",
year = "1986",
ISBN = "0-19-503644-1",
ISBN-13 = "978-0-19-503644-2",
LCCN = "QD96.L3 F57 1986",
bibdate = "Mon Oct 3 18:36:23 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "The International series of monographs on chemistry;
Oxford science publications",
URL = "http://www.loc.gov/catdir/enhancements/fy0638/85004949-d.htm",
acknowledgement = ack-nhfb,
subject = "Laser spectroscopy; Picosecond pulses",
}
@Book{Gerloch:1986:OTS,
author = "M. Gerloch",
title = "Orbitals, terms and states",
publisher = pub-WILEY,
address = pub-WILEY:adr,
pages = "xii + 176",
year = "1986",
ISBN = "0-471-90935-1, 0-471-90936-X (paperback)",
ISBN-13 = "978-0-471-90935-4, 978-0-471-90936-1 (paperback)",
LCCN = "QD461 .G37 1986",
bibdate = "Wed Oct 5 11:32:35 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
acknowledgement = ack-nhfb,
subject = "molecular orbitals",
}
@Book{Naray-Szabo:1986:TCB,
editor = "G\'abor N\'aray-Szab\'o",
title = "Theoretical chemistry of biological systems",
volume = "41",
publisher = pub-ELSEVIER,
address = pub-ELSEVIER:adr,
pages = "xiii + 504",
year = "1986",
ISBN = "0-444-42597-7 (US)",
ISBN-13 = "978-0-444-42597-3 (US)",
LCCN = "QP517.M3 T47 1986",
bibdate = "Mon Oct 3 15:43:12 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "Studies in physical and theoretical chemistry",
acknowledgement = ack-nhfb,
subject = "Biochemistry; Mathematical models; Biomolecules;
Structure-activity relationships (Biochemistry);
Biophysics; Chemistry, Physical and theoretical;
Models, Theoretical",
}
@Book{Ohno:1986:QCL,
editor = "Kimio Ohno and Keiji Morokuma",
title = "Quantum chemistry literature data base: supplement 5:
bibliography of ab initio calculations for 1985",
publisher = pub-ELSEVIER,
address = pub-ELSEVIER:adr,
pages = "525",
year = "1986",
LCCN = "????",
bibdate = "Mon Oct 3 14:35:24 MDT 2011",
bibsource = "fsz3950.oclc.org:210/WorldCat;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
subject = "Chimie quantique; Bibliographie",
}
@Book{Pyykko:1986:RTA,
author = "Pekka Pyykk{\"o}",
title = "Relativistic theory of atoms and molecules: a
bibliography, 1916--1985",
volume = "41",
publisher = pub-SV,
address = pub-SV:adr,
pages = "ix + 389",
year = "1986",
ISBN = "0-387-17167-3 (paperback)",
ISBN-13 = "978-0-387-17167-8 (paperback)",
LCCN = "Z5524.A6 P99 1986",
bibdate = "Mon Oct 3 16:38:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "Lecture notes in chemistry",
acknowledgement = ack-nhfb,
subject = "Atomic theory; Bibliography; Molecular theory",
}
@Book{Sewell:1986:QTC,
author = "G. L. Sewell",
title = "Quantum theory of collective phenomena",
publisher = pub-CLARENDON,
address = pub-CLARENDON:adr,
pages = "xiii + 229",
year = "1986",
ISBN = "0-19-851371-2",
ISBN-13 = "978-0-19-851371-1",
LCCN = "????",
bibdate = "Wed Oct 5 09:19:38 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
library.ox.ac.uk:210/ADVANCE",
series = "Monographs on the physics and chemistry of materials",
acknowledgement = ack-nhfb,
subject = "Phase transformations (Statistical physics); Quantum
theory; Statistical thermodynamics",
}
@Book{Trinajstic:1986:MCC,
editor = "Nenad Trinajsti{\'c}",
title = "Mathematical and computational concepts in chemistry",
publisher = pub-ELLIS-HORWOOD,
address = pub-ELLIS-HORWOOD:adr,
pages = "365",
year = "1986",
ISBN = "0-470-20289-0 (Halsted Press)",
ISBN-13 = "978-0-470-20289-0 (Halsted Press)",
LCCN = "QD39.3.M3 I57 1985",
bibdate = "Mon Oct 3 16:36:24 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "Ellis Horwood series, mathematics and its
applications",
acknowledgement = ack-nhfb,
meetingname = "International Symposium on Applications of
Mathematical Concepts to Chemistry (1985: Dubrovnik,
Croatia)",
remark = "Cover title: Mathematics and computational concepts in
chemistry.. ``Published for the International Union of
Pure and Applied Chemistry.''.. ``Sponsored by IUPAC
\ldots{} [et al.]''--P. facing t.p.",
subject = "Chemistry; Mathematics; Congresses",
}
@Book{Dence:1987:IPC,
author = "Joseph B. Dence and Dennis J. Diestler",
title = "Intermediate physical chemistry: stationary properties
of chemical systems",
publisher = pub-WILEY,
address = pub-WILEY:adr,
pages = "xi + 344",
year = "1987",
ISBN = "0-471-81243-9",
ISBN-13 = "978-0-471-81243-2",
LCCN = "QD453.2 .D46 1987",
bibdate = "Mon Oct 3 15:37:32 MDT 2011",
bibsource = "fsz3950.oclc.org:210/WorldCat;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
remark = "A Wiley-Interscience publication.",
subject = "Chemistry, Physical and theoretical; Chimie physique
et th\'eorique; Physikalische Chemie; Quantenphysik;
Aufsatzsammlung; Statistische Mechanik; Theoretische
Chemie; Lehrbuch; Quantenchemie",
}
@Book{Lawley:1987:IMQ,
editor = "K. P. Lawley",
title = "Ab initio methods in quantum chemistry",
volume = "67, 69",
publisher = pub-WILEY,
address = pub-WILEY:adr,
pages = "566 (vol. 1), 588 (vol. 2)",
year = "1987",
ISBN = "0-471-90900-9 (v. 1), 0-471-90901-7 (v. 2)",
ISBN-13 = "978-0-471-90900-2 (v. 1), 978-0-471-90901-9 (v. 2)",
LCCN = "QD453 .A27 vol. 67",
bibdate = "Mon Oct 3 16:21:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "Advances in chemical physics",
acknowledgement = ack-nhfb,
remark = "A Wiley-Interscience publication.",
subject = "Quantum chemistry",
}
@Book{Stanley:1987:IPT,
author = "H. Eugene (Harry Eugene) Stanley",
title = "Introduction to phase transitions and critical
phenomena",
publisher = pub-OXFORD,
address = pub-OXFORD:adr,
pages = "xx + 308",
year = "1987",
ISBN = "0-19-505316-8 (paperback)",
ISBN-13 = "978-0-19-505316-6 (paperback)",
LCCN = "QC175.16.P5 S72 1987",
bibdate = "Mon Oct 3 16:23:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
URL = "http://www.loc.gov/catdir/enhancements/fy0603/87012357-d.htm;
http://www.loc.gov/catdir/enhancements/fy0603/87012357-t.htm",
acknowledgement = ack-nhfb,
remark = "Reprint. Originally published: Oxford: Clarendon
Press, 1971. (The International series of monographs on
physics).",
subject = "Phase transformations (Statistical physics); Critical
phenomena (Physics)",
}
@Book{Goldman:1988:QDH,
author = "M. (Maurice) Goldman",
title = "Quantum description of high-resolution {NMR} in
liquids",
volume = "15",
publisher = pub-CLARENDON,
address = pub-CLARENDON:adr,
pages = "xiv + 268",
year = "1988",
ISBN = "0-19-855639-X",
ISBN-13 = "978-0-19-855639-8",
LCCN = "QD96.N8 G65 1988",
bibdate = "Wed Oct 5 09:10:32 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
price = "US\$70.00",
series = "The International series of monographs on chemistry",
URL = "http://www.loc.gov/catdir/enhancements/fy0639/88001668-d.html;
http://www.loc.gov/catdir/enhancements/fy0639/88001668-t.html",
acknowledgement = ack-nhfb,
subject = "Nuclear magnetic resonance spectroscopy",
}
@Book{Malinowski:1989:FAC,
author = "Edmund R. Malinowski and Darryl G. Howery",
title = "Factor analysis in chemistry",
publisher = pub-R-E-KRIEGER,
address = pub-R-E-KRIEGER:adr,
pages = "ix + 251",
year = "1989",
ISBN = "0-89464-343-6",
ISBN-13 = "978-0-89464-343-9",
LCCN = "QD39.3.F33 M35 1989",
bibdate = "Mon Oct 3 15:11:30 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
acknowledgement = ack-nhfb,
remark = "Reprint. Originally published: New York: Wiley,
1980.",
subject = "Chemistry; Statistical methods; Factor analysis",
}
@Book{Ohno:1989:QCL,
editor = "K. Ohno and K. Morokuma and H. Hosoya",
title = "Quantum chemistry literature data base: bibliography
of ab initio calculations for 1988",
publisher = "????",
address = "????",
year = "1989",
LCCN = "????",
bibdate = "Mon Oct 3 14:35:24 MDT 2011",
bibsource = "fsz3950.oclc.org:210/WorldCat;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
series = "See: Journal of Molecular Structure. Theochem: V. 203,
1989. Special issue.",
acknowledgement = ack-nhfb,
}
@Book{Hosoya:1990:QCL,
editor = "H. Hosoya and others",
title = "Quantum chemistry literature data base: Supplement 9:
bibliography of ab initio calculations for 1989",
publisher = pub-ELSEVIER,
address = pub-ELSEVIER:adr,
pages = "276",
year = "1990",
LCCN = "????",
bibdate = "Mon Oct 3 14:35:24 MDT 2011",
bibsource = "fsz3950.oclc.org:210/WorldCat;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
acknowledgement = ack-nhfb,
remark = "Est \'egalement no sp\'ecial de: Theochem, 1990, vol.
70.",
subject = "Chimie quantique; Bibliographie",
}
@Book{Davydov:1991:SMS,
author = "A. S. (Aleksandr Sergeevich) Davydov",
title = "Solitons in molecular systems",
volume = "61",
publisher = pub-KLUWER,
address = pub-KLUWER:adr,
edition = "Second",
pages = "xiii + 413",
year = "1991",
ISBN = "0-7923-1029-2",
ISBN-13 = "978-0-7923-1029-7",
LCCN = "QC174.26.W28 D3813 1990",
bibdate = "Mon Oct 3 15:58:15 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "Mathematics and its applications (Soviet series)",
acknowledgement = ack-nhfb,
remark = "Translation by Eugene S. Kryachko of: Solitony v
molekul{\"e}i{\'\i}arnykh sistemakh.",
subject = "Solitons; Exciton theory; Molecules",
}
@Book{Malinowski:1991:FAC,
author = "Edmund R. Malinowski",
title = "Factor analysis in chemistry",
publisher = pub-WILEY,
address = pub-WILEY:adr,
edition = "Second",
pages = "xii + 350",
year = "1991",
ISBN = "0-471-53009-3",
ISBN-13 = "978-0-471-53009-1",
LCCN = "QD39.3.F33 M35 1991",
bibdate = "Mon Oct 3 15:11:30 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
URL = "http://www.loc.gov/catdir/description/wiley034/90024193.htm;
http://www.loc.gov/catdir/enhancements/fy0607/90024193-b.htm;
http://www.loc.gov/catdir/toc/onix05/90024193.htm",
acknowledgement = ack-nhfb,
remark = "A Wiley-Interscience publication.",
subject = "Chemistry; Statistical methods; Factor analysis",
}
@Book{Cheetham:1992:SSC,
editor = "A. K. Cheetham and Peter Day",
title = "Solid state chemistry: compounds",
publisher = pub-CLARENDON,
address = pub-CLARENDON:adr,
pages = "xii + 304",
year = "1992",
ISBN = "0-19-855166-5",
ISBN-13 = "978-0-19-855166-9",
LCCN = "QD478 .S6334 1991",
bibdate = "Wed Oct 5 09:08:39 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "Oxford science publications",
URL = "http://www.loc.gov/catdir/enhancements/fy0605/91012173-d.html;
http://www.loc.gov/catdir/enhancements/fy0605/91012173-t.html",
acknowledgement = ack-nhfb,
subject = "Solid state chemistry",
}
@Book{Pyykko:1993:RTA,
author = "Pekka Pyykk{\"o}",
title = "Relativistic theory of atoms and molecules {II}: a
bibliography, 1986--1992",
volume = "60",
publisher = pub-SV,
address = pub-SV:adr,
pages = "viii + 479",
year = "1993",
ISBN = "3-540-57219-8 (Berlin), 0-387-57219-8 (New York)",
ISBN-13 = "978-3-540-57219-0 (Berlin), 978-0-387-57219-2 (New
York)",
LCCN = "Z5524.A6 P99 1993",
bibdate = "Mon Oct 3 16:38:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "Lecture notes in chemistry",
acknowledgement = ack-nhfb,
subject = "Atomic theory; Bibliography; Molecular theory",
}
@Book{Craig:1998:MQE,
author = "D. P. Craig and T. Thirunamachandran",
title = "Molecular quantum electrodynamics: an introduction to
radiation-molecule interactions",
publisher = pub-DOVER,
address = pub-DOVER:adr,
pages = "ix + 324",
year = "1998",
ISBN = "0-486-40214-2 (paperback)",
ISBN-13 = "978-0-486-40214-7 (paperback)",
LCCN = "QC680 .C73 1998",
bibdate = "Mon Oct 3 16:27:00 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
URL = "http://www.loc.gov/catdir/description/dover033/98012709.htm",
acknowledgement = ack-nhfb,
remark = "Originally published: London: Academic Press, 1984.",
subject = "Quantum electrodynamics; Molecular dynamics;
Chemistry, Physical and theoretical",
}
@Book{Pyykko:2000:RTA,
author = "Pekka Pyykk{\"o}",
title = "Relativistic theory of atoms and molecules {III}: a
bibliography, 1993--1999",
volume = "76",
publisher = pub-SV,
address = pub-SV:adr,
pages = "x + 354",
year = "2000",
ISBN = "3-540-41398-7",
ISBN-13 = "978-3-540-41398-1",
LCCN = "Z5524.A6 P99 2000",
bibdate = "Mon Oct 3 16:38:42 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "Lecture notes in chemistry, 0342-4901",
acknowledgement = ack-nhfb,
subject = "Atomic theory; Bibliography; Molecular theory",
}
@Book{Malinowski:2002:FAC,
author = "Edmund R. Malinowski",
title = "Factor analysis in chemistry",
publisher = pub-WILEY,
address = pub-WILEY:adr,
edition = "Third",
pages = "xviii + 414",
year = "2002",
ISBN = "0-471-13479-1 (hardcover)",
ISBN-13 = "978-0-471-13479-4 (hardcover)",
LCCN = "QD39.3.F33 M35 2002",
bibdate = "Mon Oct 3 15:11:30 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
URL = "http://www.loc.gov/catdir/bios/wiley043/2001046660.htm;
http://www.loc.gov/catdir/description/wiley036/2001046660.htm;
http://www.loc.gov/catdir/toc/wiley021/2001046660.htm",
acknowledgement = ack-nhfb,
subject = "Chemistry; Statistical methods; Factor analysis",
}
@Book{Altmann:2005:RQD,
author = "Simon L. Altmann",
title = "Rotations, quaternions, and double groups",
publisher = pub-DOVER,
address = pub-DOVER:adr,
pages = "????",
year = "2005",
ISBN = "0-486-44518-6 (paperback)",
ISBN-13 = "978-0-486-44518-2 (paperback)",
LCCN = "QC174.17.R65 A48 2005",
bibdate = "Wed Oct 5 08:57:17 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
URL = "http://www.loc.gov/catdir/enhancements/fy0625/2005049630-d.html",
acknowledgement = ack-nhfb,
remark = "Originally published: Oxford: Clarendon Press; New
York: Oxford University Press, 1986.",
subject = "Rotation groups; Quaternions; Finite groups;
Representations of groups",
}
@Proceedings{Andre:1978:QTP,
editor = "Jean-Marie Andr{\'e} and Joseph Delhalle and J{\'a}nos
Ladik",
booktitle = "{Quantum theory of polymers: proceedings of the NATO
Advanced Study Institute on Electronic Structure and
Properties of Polymers held at Namur, Belgium, 31
August--14 September 1977}",
title = "{Quantum theory of polymers: proceedings of the NATO
Advanced Study Institute on Electronic Structure and
Properties of Polymers held at Namur, Belgium, 31
August--14 September 1977}",
volume = "39",
publisher = pub-REIDEL,
address = pub-REIDEL:adr,
pages = "xi + 376",
year = "1978",
ISBN = "90-277-0870-3",
ISBN-13 = "978-90-277-0870-0",
LCCN = "QD380 .N36 1977",
bibdate = "Mon Oct 3 15:24:57 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "NATO advanced study institutes series: Series C,
Mathematical and physical sciences",
acknowledgement = ack-nhfb,
meetingname = "Nato Advanced Study Institute on Electronic Structure
and Properties of Polymers, Facult\'es universitaires
de Namur, 1977.",
subject = "Polymers; Congresses; Quantum chemistry",
}
@Proceedings{Kelm:1978:HPC,
editor = "H. Kelm",
booktitle = "{High pressure chemistry: proceedings of the NATO
Advanced Study Institute held in Corfu, Greece,
September 24--October 8, 1977}",
title = "{High pressure chemistry: proceedings of the NATO
Advanced Study Institute held in Corfu, Greece,
September 24--October 8, 1977}",
volume = "41",
publisher = pub-REIDEL,
address = pub-REIDEL:adr,
pages = "vii + 600",
year = "1978",
ISBN = "90-277-0935-1",
ISBN-13 = "978-90-277-0935-6",
LCCN = "QD455 .H48",
bibdate = "Mon Oct 3 15:53:24 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "NATO advanced study institutes series: Series C,
Mathematical and physical sciences",
acknowledgement = ack-nhfb,
subject = "High pressure chemistry; Congresses",
}
@Proceedings{Donini:1979:RAG,
editor = "John C. Donini",
booktitle = "Recent advances in group theory and their application
to spectroscopy: [proceedings]",
title = "Recent advances in group theory and their application
to spectroscopy: [proceedings]",
volume = "43",
publisher = pub-PLENUM,
address = pub-PLENUM:adr,
pages = "xii + 692",
year = "1979",
ISBN = "0-306-40172-X",
ISBN-13 = "978-0-306-40172-5",
LCCN = "QC450 .N37 1978",
bibdate = "Mon Oct 3 17:56:16 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "NATO Advanced Study Institutes Series: Series B,
Physics",
acknowledgement = ack-nhfb,
meetingname = "NATO Advanced Study Institute on Recent Advances in
Group Theory and Their Application to Spectroscopy
(1978: St. Francis Xavier University, Antigonish, NS)",
subject = "Spectrum analysis; Congresses; Group theory",
}
@Proceedings{Nicolaides:1979:ESQ,
editor = "Cleanthes A. Nicolaides and Donald R. Beck",
booktitle = "{Excited states in quantum chemistry: theoretical and
experimental aspects of the electronic structure and
properties of the excited states in atoms, molecules
and solids: proceedings of the NATO Advanced Study
Institute held at Kos, Greece, June 4--18, 1978}",
title = "{Excited states in quantum chemistry: theoretical and
experimental aspects of the electronic structure and
properties of the excited states in atoms, molecules
and solids: proceedings of the NATO Advanced Study
Institute held at Kos, Greece, June 4--18, 1978}",
volume = "46",
publisher = pub-REIDEL,
address = pub-REIDEL:adr,
pages = "viii + 572",
year = "1979",
ISBN = "90-277-0961-0",
ISBN-13 = "978-90-277-0961-5",
LCCN = "QD461.5 .N36 1978",
bibdate = "Mon Oct 3 14:50:02 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "NATO advanced study institutes series: Series C,
Mathematical and physical sciences",
acknowledgement = ack-nhfb,
meetingname = "NATO Advanced Study Institute (1978: Kos, Greece)",
subject = "Excited state chemistry; Congresses",
}
@Proceedings{Pullman:1979:CCB,
editor = "Bernard Pullman",
booktitle = "{Catalysis in chemistry and biochemistry: theory and
experiment: proceedings of the Twelfth Jerusalem
Symposium on Quantum Chemistry and Biochemistry held in
Jerusalem, Israel, April 2--4, 1979}",
title = "{Catalysis in chemistry and biochemistry: theory and
experiment: proceedings of the Twelfth Jerusalem
Symposium on Quantum Chemistry and Biochemistry held in
Jerusalem, Israel, April 2--4, 1979}",
volume = "12",
publisher = pub-REIDEL,
address = pub-REIDEL:adr,
pages = "vii + 390",
year = "1979",
ISBN = "90-277-1039-2",
ISBN-13 = "978-90-277-1039-0",
LCCN = "QD505 .J47 1979",
bibdate = "Mon Oct 3 15:21:18 MDT 2011",
bibsource = "fsz3950.oclc.org:210/WorldCat;
https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib",
series = "The Jerusalem symposia on quantum chemistry and
biochemistry",
acknowledgement = ack-nhfb,
meetingname = "Jerusalem Symposium on Quantum Chemistry and
Biochemistry (12th: 1979)",
subject = "Catalysis; Congresses; Catalyse; Congr\`es",
}
@Proceedings{Pullman:1980:CFM,
editor = "Bernard Pullman and Paul O. P. (Paul On Pong) Ts'o and
Harry Victor Gelboin",
booktitle = "{Carcinogenesis, fundamental mechanisms and
environmental effects: proceedings of the thirteenth
Jerusalem Symposium on Quantum Chemistry and
Biochemistry, held in Jerusalem, Israel, April 28--May
2, 1980}",
title = "{Carcinogenesis, fundamental mechanisms and
environmental effects: proceedings of the thirteenth
Jerusalem Symposium on Quantum Chemistry and
Biochemistry, held in Jerusalem, Israel, April 28--May
2, 1980}",
publisher = pub-REIDEL,
address = pub-REIDEL:adr,
pages = "viii + 592",
year = "1980",
ISBN = "90-277-1171-2",
ISBN-13 = "978-90-277-1171-7",
LCCN = "RC268.5 .J47 1980",
bibdate = "Mon Oct 3 15:56:53 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "The Jerusalem symposia on quantum chemistry and
biochemistry; v. 13",
acknowledgement = ack-nhfb,
meetingname = "Jerusalem Symposium on Quantum Chemistry and
Biochemistry, 13th, 1980.",
subject = "Carcinogenesis; Congresses; Environmentally induced
diseases; Carcinogens; Pharmacodynamics",
}
@Proceedings{Tometsko:1980:APP,
editor = "Andrew M. Tometsko and Frederic Middlebrook
Richards",
booktitle = "{Applications of photochemistry in probing biological
targets}",
title = "{Applications of photochemistry in probing biological
targets}",
volume = "346",
publisher = "New York Academy of Sciences",
address = "New York, NY, USA",
pages = "ix + 502",
year = "1980",
ISBN = "0-89766-080-3, 0-89766-081-1 (paperback)",
ISBN-13 = "978-0-89766-080-8, 978-0-89766-081-5 (paperback)",
LCCN = "Q11 .N5 vol. 346",
bibdate = "Mon Oct 3 15:16:15 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "Annals of the New York Academy of Sciences",
acknowledgement = ack-nhfb,
remark = "This series of papers is the result of a conference
entitled Applications of photochemistry in probing
biological targets, held by the New York Academy of
Sciences from May 30 to June 1, 1979.",
subject = "Photochemistry; Congresses; Biochemistry;
Photobiology",
}
@Proceedings{Woolley:1980:QDM,
editor = "R. G. Woolley",
booktitle = "Quantum dynamics of molecules: the new experimental
challenge to theorists",
title = "Quantum dynamics of molecules: the new experimental
challenge to theorists",
volume = "57",
publisher = pub-PLENUM,
address = pub-PLENUM:adr,
pages = "xiv + 557",
year = "1980",
ISBN = "0-306-40462-1",
ISBN-13 = "978-0-306-40462-7",
LCCN = "QD462.A1 N17 1979",
bibdate = "Mon Oct 3 16:16:49 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "Nato advanced study institutes series: Series B,
Physics",
acknowledgement = ack-nhfb,
meetingname = "NATO Advanced Study Institute on Quantum Dynamics of
Molecules: the New Experimental Challenge to Theorists
(1979: Trinity Hall)",
remark = "Proceedings of the institute held at Trinity Hall,
Cambridge, United Kingdom, September 15--29, 1979.",
subject = "Quantum chemistry; Congresses; Molecular dynamics;
Chemistry, Physical and theoretical",
}
@Proceedings{Weatherford:1982:EMM,
editor = "Charles A. Weatherford and Herbert W. Jones",
booktitle = "{ETO Multicenter Molecular Integrals: Proceedings of
the International Conference held at Florida A\&M
University, Tallahassee, Florida, USA, August 3--6,
1981}",
title = "{ETO Multicenter Molecular Integrals: Proceedings of
the International Conference held at Florida A\&M
University, Tallahassee, Florida, USA, August 3--6,
1981}",
publisher = pub-REIDEL,
address = pub-REIDEL:adr,
pages = "xvi + 186",
year = "1982",
ISBN = "90-277-1488-6",
ISBN-13 = "978-90-277-1488-6",
LCCN = "QD461 E86 1982",
bibdate = "Wed Oct 5 08:43:36 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.gbv.de:20011/gvk",
URL = "http://www.gbv.de/dms/tib-ub-hannover/243261756.pdf",
acknowledgement = ack-nhfb,
subject = "Molecular orbitals; Congresses; Quantum chemistry",
}
@Proceedings{Bartlett:1985:CIQ,
editor = "Rodney J. Bartlett",
booktitle = "Comparison of ab initio quantum chemistry with
experiment for small molecules: the state of the art",
title = "Comparison of ab initio quantum chemistry with
experiment for small molecules: the state of the art",
publisher = pub-REIDEL,
address = pub-REIDEL:adr,
pages = "ix + 513",
year = "1985",
ISBN = "90-277-2129-7",
ISBN-13 = "978-90-277-2129-7",
LCCN = "QD462.A1 C66 1985",
bibdate = "Mon Oct 3 16:01:20 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
acknowledgement = ack-nhfb,
remark = "Proceedings of a symposium held at Philadelphia,
Pennsylvania, 27--29 August, 1984.",
subject = "Quantum chemistry; Congresses; Molecules",
}
@Proceedings{Clary:1986:TCR,
editor = "D. C. Clary",
booktitle = "The theory of chemical reaction dynamics",
title = "The theory of chemical reaction dynamics",
volume = "170",
publisher = pub-REIDEL,
address = pub-REIDEL:adr,
pages = "viii + 418",
year = "1986",
ISBN = "90-277-2202-1",
ISBN-13 = "978-90-277-2202-7",
LCCN = "QD501 .N355 1985",
bibdate = "Mon Oct 3 16:02:04 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "NATO ASI series. Series C, Mathematical and physical
sciences",
acknowledgement = ack-nhfb,
meetingname = "NATO Advanced Research Workshop on the Theory of
Chemical Reaction Dynamics (1985: Orsay, France)",
remark = "Proceedings of the NATO Advanced Research Workshop on
the Theory of Chemical Reaction Dynamics, Orsay,
France, June 17--30, 1985. Sponsored by the NATO
Science Committee. Published in cooperation with NATO
Scientific Affairs Division.",
subject = "Chemical reaction, Conditions and laws of;
Congresses",
}
@Proceedings{Jorgensen:1986:GDE,
editor = "Poul J{\o}rgensen and Jack Simons",
booktitle = "{Geometrical derivatives of energy surfaces and
molecular properties}",
title = "{Geometrical derivatives of energy surfaces and
molecular properties}",
volume = "166",
publisher = pub-REIDEL,
address = pub-REIDEL:adr,
pages = "ix + 341",
year = "1986",
ISBN = "90-277-2176-9",
ISBN-13 = "978-90-277-2176-1",
LCCN = "QD461.5 .N35 1985",
bibdate = "Mon Oct 3 16:03:24 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "NATO ASI series. Series C, Mathematical and physical
sciences",
acknowledgement = ack-nhfb,
meetingname = "NATO Advanced Research Workshop on Geometrical
Derivatives of Energy Surfaces and Molecular Properties
(1985: Sandbjerg, Denmark)",
remark = "Proceedings of the NATO Advanced Research Workshop on
Geometrical Derivatives of Energy Surfaces and
Molecular Properties, Sandbjerg, Denmark, August 1--4,
1985. Published in cooperation with NATO Scientific
Affairs Division.",
subject = "Excited state chemistry; Mathematical models;
Congresses; Molecular dynamics",
}
@Proceedings{Rentzepis:1986:ACR,
editor = "Peter M. Rentzepis and Christos Capellos",
booktitle = "Advances in chemical reaction dynamics",
title = "Advances in chemical reaction dynamics",
volume = "184",
publisher = pub-REIDEL,
address = pub-REIDEL:adr,
pages = "x + 612",
year = "1986",
ISBN = "90-277-2312-5",
ISBN-13 = "978-90-277-2312-3",
LCCN = "QD502 .N365 1985",
bibdate = "Mon Oct 3 16:07:45 MDT 2011",
bibsource = "https://www.math.utah.edu/pub/tex/bib/ijqc1980.bib;
z3950.loc.gov:7090/Voyager",
series = "NATO ASI series. Series C, Mathematical and physical
sciences",
acknowledgement = ack-nhfb,
meetingname = "NATO Advanced Study Institute on Advances in Chemical
Reaction Dynamics (1985: Erakleion, Greece)",
remark = "Proceedings of the NATO Advanced Study Institute on
Advances in Chemical Reaction Dynamics, Iraklion,
Crete, Greece, 25 August--7 September, 1985. Published
in cooperation with NATO Scientific Affairs Division.",
subject = "Chemical kinetics; Congresses; Chemical reaction,
Conditions and laws of",
}