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

doi:10.1063/1.482013

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

Chemistry

Research output: Contribution to journal › Article › peer-review

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 language	English (US)
Pages (from-to)	1802-1806
Number of pages	5
Journal	Journal of Chemical Physics
Volume	113
Issue number	5
DOIs	https://doi.org/10.1063/1.482013
State	Published - Aug 2000

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1063/1.482013

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title = "Application of semirigid vibrating rotor target model to reaction of H+CH4→CH3+H2",

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.",

author = "Wang, {M. L.} and Yimin Li and Zhang, {J. Z.H.} and Zhang, {Dong H.}",

year = "2000",

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AU - Zhang, Dong H.

PY - 2000/8

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AB - 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.

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

Abstract

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