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671. VENUS96: A General Chemical Dynamics Program
by the William L. Hase Research Group, Department of Chemistry, Wayne State University, Detroit, Michigan 48202 This program has the following capabilites: * Determines the reaction path and canonical variational transition-state properties * Performs a normal-mode analysis at a geometry which is read in * Calculates a trajectory from coordinates and moments which are read in * Determines the minimum energy geometry for a specified potential energy surface * Calculates a trajectory for one or two reactants * Calculates a trajectory starting at a saddlepoint Lines of Code: 13,435 FORTRAN 77 (IBM RS/6000) |