Calculation of the state-to-state S -matrix for tetra-atomic reactions with transition-state wave packets: H 2 /D 2 + OH → H/D + H 2 O/HOD

Zhao, Bin; Sun, Zhigang; Guo, Hua

doi:10.1063/1.4898100

Title: Calculation of the state-to-state S -matrix for tetra-atomic reactions with transition-state wave packets: H ₂ /D ₂ + OH → H/D + H ₂ O/HOD

Journal Article · Tue Oct 21 00:00:00 EDT 2014 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4898100· OSTI ID:1224231

Zhao, Bin ^[1]; Sun, Zhigang ^[2]; Guo, Hua ^[1]

Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, USA
Center for Theoretical and Computational Chemistry and State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China

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Sponsoring Organization:: USDOE

Grant/Contract Number:: FG02-05ER15694

OSTI ID:: 1224231

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Vol. 141 Journal Issue: 15; ISSN 0021-9606

Publisher:: American Institute of PhysicsCopyright Statement

Country of Publication:: United States

Language:: English

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Title: Calculation of the state-to-state S -matrix for tetra-atomic reactions with transition-state wave packets: H ₂ /D ₂ + OH → H/D + H ₂ O/HOD