A quasiclassical trajectory calculation of the H + C2H4 → C2H5 bimolecular rate constant

Kandadai N. Swamy, William L. Hase

Research output: Contribution to journalArticle

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Abstract

The dynamics of the H + C2H4 → C2H5 recombination reaction are studied with quasiclassical trajectories. For the 200-500 K temperature range the quasiclassical trajectory bimolecular rate constant agrees with that calculated from activated complex theory with a tunneling correction.

Original languageEnglish
Pages (from-to)4715-4720
Number of pages6
JournalJournal of physical chemistry
Volume87
Issue number23
DOIs
StatePublished - 1983

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