Nonlinear dynamical effects on reaction rates in thermally fluctuating environments.

Abstract

A framework to calculate the rate constants of condensed phase chemical reactions of manybody systems is presented without relying on the concept of transition state. The theory is based on a framework we developed recently adopting a multidimensional underdamped Langevin equation in the region of a rank-one saddle. The theory provides a reaction coordinate… (More)
DOI: 10.1039/b922596j

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