The effect of transition-state bond angle on vibrational energy release in chemical reactions

Normand C. Blais, Donald G. Truhlar

Research output: Contribution to journalArticle

8 Scopus citations

Abstract

We report quasiclassical trajectory calculations of the HBr product vibrational energy distribution in the reaction H + Br2 → HBr + Br. We find a previously unsuspected systematic dependence of the product vibrational energy on the transition-state bond angle even when other features of the potential energy surface are held constant.

Original languageEnglish (US)
Pages (from-to)379-383
Number of pages5
JournalChemical Physics Letters
Volume118
Issue number4
DOIs
StatePublished - Aug 2 1985

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