Quantum Chemical Simulations of Doped Aerogels as Catalysts <author> <version> <abstract> Molecular hydrogen is a virtually pollution free fuel. It can react with atmospheric oxygen to form water. This reaction releases a considerable amount of energy and could be used in place of gasoline for transportation. Unfortunately, hydrogen is a gas under all but the most extreme conditions, so using H2 gas would require high pressure storage tanks in order to get enough fuel on a vehicle to travel a significant distance. One idea being explored at LLNL and at the National Renewable Energy Laboratory in Colorado is to store hydrogen by absorbing onto carbon. Calculations are being performed at LLNL to explore the strength of the forces that hold hydrogen in these tubes. <description><url>http://www.llnl.gov/liv_comp/meiko/apps/calef/calef.html</url> <reference><url></url> <contact>Dan Calef / dan_calef@quickmail.llnl.gov <keywords>simulation; application program; quantum chemistry <category>application <publication-date>01 November 1994 <environment> <method> <application>hydrogen storage <comments> </urc>