Chemical kinetics and mechanisms of complex systems: A perspective on recent theoretical advances

Stephen J. Klippenstein, Vijay S. Pande, Donald G. Truhlar

Research output: Contribution to journalReview articlepeer-review

150 Scopus citations

Abstract

This Perspective presents a personal overview of the current status of the theory of chemical kinetics and mechanisms for complex processes. We attempt to assess the status of the field for reactions in the gas phase, at gas-solid interfaces, in liquid solutions, in enzymes, and for protein folding. Some unifying concepts such as potential energy surfaces, free energy, master equations, and reaction coordinates occur in more than one area. We hope this Perspective will be useful for highlighting recent advances and for identifying important areas for future research.

Original languageEnglish (US)
Pages (from-to)528-546
Number of pages19
JournalJournal of the American Chemical Society
Volume136
Issue number2
DOIs
StatePublished - Jan 15 2014

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