Current status of transition-state theory

Donald G. Truhlar, Bruce C. Garrett, Stephen J. Klippenstein

Research output: Contribution to journalArticlepeer-review

1445 Scopus citations

Abstract

We present an overview of the current status of transition-state theory and its generalizations. We emphasize (i) recent improvements in available methodology for calculations on complex systems, including the interface with electronic structure theory, (ii) progress in the theory and application of transition-state theory to condensed-phase reactions, and (iii) insight into the relation of transition-state theory to accurate quantum dynamics and tests of its accuracy via comparisons with both experimental and other theoretical dynamical approximations.

Original languageEnglish (US)
Pages (from-to)12771-12800
Number of pages30
JournalJournal of physical chemistry
Volume100
Issue number31
DOIs
StatePublished - Aug 1 1996

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