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State-to-state quantum reactive scattering for four-atom chemical reactions: Differential cross section for the H+H2O -> H-2+OH abstraction reaction
Zhang, Dong H.
刊名JOURNAL OF CHEMICAL PHYSICS
2006-10-07
DOI10.1063/1.2217439
125期:13
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Physics, Atomic, Molecular & Chemical
研究领域[WOS]Physics
关键词[WOS]POTENTIAL-ENERGY SURFACES ; CENTRIFUGAL SUDDEN APPROXIMATION ; DIATOM-DIATOM REACTIONS ; REACTION DYNAMICS ; REACTION PROBABILITIES ; DIMENSIONAL QUANTUM ; H-2+OH REACTION ; BIMOLECULAR REACTION ; RATE COEFFICIENTS ; RATE CONSTANTS
英文摘要The time-dependent wave packet method was extended to calculate the state-to-state differential cross section for the title four-atom abstraction reaction with H2O in the ground rovibrational state. One spectator OH bond length was fixed in the study, but the remaining five degrees of freedom were treated exactly. It was found that (a) the differential cross section changes from being strongly backward peaked at low collision energy to sideward scattering at E=1.4 eV, and (b) the rotational state-resolved differential cross section for H-2 differs substantially from that for OH. (c) 2006 American Institute of Physics.
语种英语
WOS记录号WOS:000241056600011
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被引频次:59[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/140271
专题中国科学院大连化学物理研究所
作者单位1.Chinese Acad Sci, Dalian Inst Chem Phys, Ctr Theoret & Computat Chem, Dalian 116023, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
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Zhang, Dong H.. State-to-state quantum reactive scattering for four-atom chemical reactions: Differential cross section for the H+H2O -> H-2+OH abstraction reaction[J]. JOURNAL OF CHEMICAL PHYSICS,2006,125(13).
APA Zhang, Dong H..(2006).State-to-state quantum reactive scattering for four-atom chemical reactions: Differential cross section for the H+H2O -> H-2+OH abstraction reaction.JOURNAL OF CHEMICAL PHYSICS,125(13).
MLA Zhang, Dong H.."State-to-state quantum reactive scattering for four-atom chemical reactions: Differential cross section for the H+H2O -> H-2+OH abstraction reaction".JOURNAL OF CHEMICAL PHYSICS 125.13(2006).
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