Generalized semirigid vibrating rotor target model for atom-poly reaction: Inclusion of umbrella mode for H+CH4 reaction

Ming L. Wang, J. Z.H. Zhang

Research output: Contribution to journalArticle

Abstract

The basic semirigid vibrating rotor target (SVRT) model was generalized by explicitly including additional vibrational modes of the reagent in the dynamics treatment. For application of the generalized SVRT (GSVRT) model to the current H+CH4 reaction, the umbrella vibration mode of CH4 was explicitly included in the dynamics model. Thus, the dimensionality of the SVRT mode was increased from 4 to 5 for a general polyatomic reaction with a single atom.

Original languageEnglish (US)
Pages (from-to)3081-3087
Number of pages7
JournalJournal of Chemical Physics
Volume117
Issue number7
DOIs
StatePublished - Aug 15 2002

ASJC Scopus subject areas

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

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