Variational transition state theory with optimized orientation of the dividing surface and semiclassical tunneling calculations for deuterium and muonium kinetic isotope effects in the free radical association reaction H + C2H4 →C2H5

J. Villà, J.C. Corchado, A. González-Lafont, J.M. Lluch, D.G. Truhlar

Research output: Contribution to journalArticleResearch

54 Citations (Scopus)
Original languageEnglish
Pages (from-to)5061-5074
JournalJ. phys. chem., A Mol. spectrosc. kinet. environ. gen. theory
Issue number26
Publication statusPublished - 1 Jan 1999

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