On a theory of absolute reaction rates

C. A. Coulson*, R. D. Levine

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

25 Scopus citations

Abstract

The methods of multichannel collision theory are used to introduce a yield operator Y which is an observable that determines the rate and yield of a reaction. When the reactants are characterized by a statistical operator U 0, the reaction rate can be written as Tr (U0Y)/Tr (U 0). By using Heisenberg's equation of motion it is possible to extend the formalism by introducing a yield operator YA that determines the rate of change of any measurable operator A in a system undergoing reactions. It is suggested to base semiempirical theories on approximations to the yield operator. Towards this aim the Arrhenius parameterization of the rate of thermal bimolecular reactions is discussed, and alternative forms for the yield operator are exhibited.

Original languageEnglish
Pages (from-to)1235-1247
Number of pages13
JournalThe Journal of Chemical Physics
Volume47
Issue number4
DOIs
StatePublished - 1967
Externally publishedYes

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