Application of semirigid vibrating rotor target model to reaction of H+CH4→CH3+H2

M. L. Wang, Yimin Li, J. Z.H. Zhang, Dong H. Zhang

Research output: Contribution to journalArticle

Abstract

Time-dependent quantum scattering calculations using the semirigid vibrating rotor target (SVRT) model were carried out for the reaction H+CH4. Focus was on the reaction probability, cross-section, and rate constant from the initial ground state of the reagent. Results indicate that quantitatively reliable dynamic results can be obtained using the SVRT model in just a few mathematical dimensions.

Original languageEnglish (US)
Pages (from-to)1802-1806
Number of pages5
JournalJournal of Chemical Physics
Volume113
Issue number5
DOIs
StatePublished - Aug 1 2000

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ASJC Scopus subject areas

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

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