Journal of Chemical Physics, Vol.99, No.12, 9585-9590, 1993
Reaction-Path Analysis of the Rate of Unimolecular Isomerization
We show that a reaction path Hamiltonian can be used, with the basic concepts of the Davis-Gray analysis of unimolecular reaction rate, to generate an accurate description of the dynamics of a model isomerization reaction.
Keywords:PHASE-SPACE BOTTLENECKS;MOLECULAR FRAGMENTATION;CHEMICAL-REACTIONS;CLASSICAL-THEORY;PREDISSOCIATION;SYSTEMS