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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.
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
ISSN: 00219606
DOI: 10.1063/1.482013
Appears in Collections:Staff Publications

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