Quantum dynamics study of isotope effect for H+CH4 reaction using the SVRT model

Xin Zhang, Guang Hui Yang, Ke Li Han, M. L. Wang, John Z.H. Zhang

Research output: Contribution to journalArticle

Abstract

The isotope effect of H+CH4→H2+CH3 reaction on JG PES was studied using the SVRT model. Using a recently developed generalized SVRT (GSVRT) model, it was shown that the result of calculation for H+CH4 using the basic SVRT model (4D) is generally accurate. Results were confirmed by a very recent calculation for H+CH4 using a more elaborate 7D model.

Original languageEnglish (US)
Pages (from-to)9266-9271
Number of pages6
JournalJournal of Chemical Physics
Volume118
Issue number20
DOIs
StatePublished - May 22 2003

ASJC Scopus subject areas

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

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