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题名: Effect of Coriolis coupling in chemical reaction dynamics
作者: Chu, Tian-Shu1, 2;  Han, Ke-Li1
通讯作者: 韩克利
刊名: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
发表日期: 2008
DOI: 10.1039/b715180b
卷: 10, 期:18, 页:2431-2441
收录类别: SCI
文章类型: Review
部门归属: 11
项目归属: 1101
产权排名: 1;1
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Physics
英文摘要: It is essential to evaluate the role of Coriolis coupling effect in molecular reaction dynamics. Here we consider Coriolis coupling effect in quantum reactive scattering calculations in the context of both adiabaticity and nonadiabaticity, with particular emphasis on examining the role of Coriolis coupling effect in reaction dynamics of triatomic molecular systems. We present the results of our own calculations by the time-dependent quantum wave packet approach for H + D(2) and F((2)P(3/2), (2)P(1/2)) + H(2) as well as for the ion-molecule collisions of He + H(2)(+), D(-) + H(2), H(-) + D(2), and D(+) + H(2), after reviewing in detail other related research efforts on this issue.
关键词[WOS]: QUANTUM WAVE-PACKET ;  MECHANICAL CROSS-SECTIONS ;  POTENTIAL-ENERGY SURFACES ;  ANGULAR-MOMENTUM J-GREATER-THAN-0 ;  ATOM-DIATOM COLLISIONS ;  ION-MOLECULE REACTIONS ;  HO2 BOUND-STATES ;  RATE CONSTANTS ;  F+H-2 REACTION ;  SCATTERING
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000255449200001
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/101121
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, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
2.Qingdao Univ, Inst Computat Sci & Engn, Qingdao 266071, Peoples R China

Recommended Citation:
Chu, Tian-Shu,Han, Ke-Li. Effect of Coriolis coupling in chemical reaction dynamics[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2008,10(18):2431-2441.
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