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

Please use this identifier to cite or link to this item: https://doi.org/10.1063/1.482013

Title:	Application of semirigid vibrating rotor target model to reaction of H+CH4→CH3+H2
Authors:	Wang, M.L. Li, Y. Zhang, J.Z.H. Zhang, D.H.
Issue Date:	Aug-2000
Citation:	Wang, M.L., Li, Y., Zhang, J.Z.H., Zhang, D.H. (2000-08). Application of semirigid vibrating rotor target model to reaction of H+CH4→CH3+H2. Journal of Chemical Physics 113 (5) : 1802-1806. ScholarBank@NUS Repository. https://doi.org/10.1063/1.482013
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.
Source Title:	Journal of Chemical Physics
URI:	http://scholarbank.nus.edu.sg/handle/10635/104735
ISSN:	00219606
DOI:	10.1063/1.482013
Appears in Collections:	Staff Publications

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