Dynamics of gas-phase reactions of muonium

Bruce C. Garrett, Rozeanne Steckler, Donald G. Truhlar

Research output: Contribution to journalArticle

31 Scopus citations

Abstract

Applications of variational transition state theory with semiclassical adiabatic transmission coefficients to the reactions of muonium with H2, D2, F2, and Cl2 are reviewed. In addition new calculations are presented for the Mu+Cl2 and Br2 reactions. The comparison of calculated rate constants and kinetic isotope effects (KIE's) with experiment is used as a test of the validity of semiempirical potential energy surfaces. Furthermore the VTST-plus-tunneling calculations allow an analysis of the KIE's that identifies those features of the potential which control the isotope effects.

Original languageEnglish (US)
Pages (from-to)779-794
Number of pages16
JournalHyperfine Interactions
Volume32
Issue number1-4
DOIs
StatePublished - Dec 1 1986

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