Symmetry Numbers and Reaction Rates. II. The Computation of the Reaction-Path Degeneracy for Bimolecular Reactions

The reaction path degeneracy n is a needed parameter in the computation of a rate constant based on absolute rate theory since it is only partially provided by the symmetry numbers. The previous group theoretical method for deriving n is examined for the case of bimolecular reactions. Furthermore, this method is compared to a direct count of the number of reaction possibilities, and it is seen, by comparison, that there are some difficulties in the application of the direct count method. Some direct count rules are derived which should avoid these difficulties. The computation of equilibrium constants and rate constants for reactions involving optically active species is discussed.