A quasi-classical trajectory study of product vibrational distributions in the OH + H2 → H2O + H reaction

George C Schatz, Henry Elgersma

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Abstract

Product H2O vibrational distributions are calculated for the OH + H2 reaction using a fitted ab initio potential surface and a classical perturbation theory method to determine vibrational good action variables. Substantial excitation in all vibrational modes is found.

Original languageEnglish
Pages (from-to)21-25
Number of pages5
JournalChemical Physics Letters
Volume73
Issue number1
DOIs
Publication statusPublished - Jan 1 1980

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ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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