The criterion of minimum state density in unimolecular rate theory. An application to ethane dissociation

William L. Hase

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87 Scopus citations

Abstract

The application of the criterion of minimum state density is described and a model potential energy function is determined for ethane dissociation. Comparisons are made between thermal rate constants calculated using the RRKM and activated complex theories. Activated complex structures are chosen by a Boltzmann average of the minimum state density criterion.

Original languageEnglish
Pages (from-to)2442-2449
Number of pages8
JournalThe Journal of Chemical Physics
Volume64
Issue number6
DOIs
StatePublished - 1976

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