Abstract
Abstract : Intermolecular forces govern many physical, chemical and biological processes. It is now possible to model such forces on computers using theoretical quantum mechanical methods developed by our group. Recent advances in computer hardware and software allow investigations of typical molecules found in explosives, propellants and solvents. The AASERT grant supported graduate students involved in this research. Their work helped to obtain state of the art potential energy hypersurfaces for various molecules relevant for the defense mission.
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