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题名: State-to-state quantum reactive scattering for four-atom chemical reactions: Differential cross section for the H+H2O -> H-2+OH abstraction reaction
作者: Zhang, Dong H.
刊名: JOURNAL OF CHEMICAL PHYSICS
发表日期: 2006-10-07
DOI: 10.1063/1.2217439
卷: 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
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.
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
语种: 英语
WOS记录号: WOS:000241056600011
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/140271
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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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

Recommended Citation:
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).
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