THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by L. Zhu and W. L. Hase, Department of Chemistry, Wayne State University, Detroit, Michigan 48202

This program calculates unimolecular rate constants as a function of molecular total energy E and angular momentum quantum numbers J and K using the RRKM Theory. The program has the following options:

Active Rotation - The quantum number K of a near symmetric top is treated as active so that all (2J+1) K-levels are counted. Semiclassical State Counting Harmonic Vibrations - No correction is made for anharmonicity. Prescribed Critical Configuration (Transition State) No Calculation of Translational Energy Distribution

Lines of Code: 2021 FORTRAN 77 (IBM RS/6000)