Current status of transition-state theory

Donald G. Truhlar, William L. Hase, James T. Hynes

Research output: Contribution to journalArticlepeer-review

650 Scopus citations

Abstract

We review the current status of transition-state theory. We focus on the validity of its basic assumptions and of corrections to and improvements of conventional transition-state theory. The review is divided into sections concerned in turn with bimolecular reactions in the gas phase, unimolecular reactions in the gas phase, and isomerizations and atom-transfer reactions in liquid-phase solutions. Some aspects that are emphasized are variational transition-state theory, tunneling, the assumption of an equilibrium distribution of reactants, and the frictional effects of solvent molecules.

Original languageEnglish
Pages (from-to)2664-2682
Number of pages19
JournalJournal of physical chemistry
Volume87
Issue number15
DOIs
StatePublished - 1983

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