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Volume 62, 1977
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Semi-classical theory for non-separable systems:. Construction of “good” action-angle variables for reaction rate constants

Abstract

A semiclassical expression for bimolecular rate constants for reactions which have a single activation barrier is obtained in terms of the “good” action variables of the (classical) Hamiltonian that are associated with the saddle point region of the potential energy surface. The formulae apply to non-separable, as well as separable saddle points.

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Article information


Faraday Discuss. Chem. Soc., 1977,62, 40-46
Article type
Paper

Semi-classical theory for non-separable systems:. Construction of “good” action-angle variables for reaction rate constants

W. H. Miller, Faraday Discuss. Chem. Soc., 1977, 62, 40
DOI: 10.1039/DC9776200040

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