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 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

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Isotopes
isotope effect

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Quantum dynamics study of isotope effect for H+CH4 reaction using the SVRT model. / Zhang, Xin; Yang, Guang Hui; Han, Ke Li; Wang, M. L.; Zhang, John.

In: Journal of Chemical Physics, Vol. 118, No. 20, 22.05.2003, p. 9266-9271.

Research output: Contribution to journalArticle

Zhang, Xin ; Yang, Guang Hui ; Han, Ke Li ; Wang, M. L. ; Zhang, John. / Quantum dynamics study of isotope effect for H+CH4 reaction using the SVRT model. In: Journal of Chemical Physics. 2003 ; Vol. 118, No. 20. pp. 9266-9271.
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