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A simple, but often reasonably accurate dynamical model - a synthesis of the semiclassical perturbtion (SCP) approximation of Miller and Smith and the infinite order sudden (IOS) approximation - has been shown previously to take an exceptionally simple form when applied to the reaction path Hamiltonian derived by Miller, Handy, and Adams. This paper shows how this combined SCP-IOS reaction path model can be used to provide a simple but comprehensive description of a variety of phenomena in the dynamics of polyatomic molecules.

the journal of physical chemistry

Applications of a simple dynamical model to the reaction path Hamiltonian: tunneling corrections to rate constants, product state distributions, line widths of local mode overtones, and mode specificity in unimolecular decomposition