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题名: Accurate quantum-mechanical calculation for O(D-1)+DCl reaction
作者: Lin, SY;  Han, KL;  Zhang, JZH
刊名: CHEMICAL PHYSICS LETTERS
发表日期: 2000-06-30
卷: 324, 期:1-3, 页:122-126
收录类别: SCI
文章类型: Article
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: An accurate time-dependent wavepacket calculation for the O(D-1) + DCl reaction is carried out employing the BLRS potential energy surface (R. Schinke, J. Chem. Phys. 80 (1984) 5510). Apparent differences are found in the energy-dependence of reaction probability and the magnitude of rate constants between the title reaction and its isotopic O(D-1) + HCl reaction. These differences are attributed mainly to the kinematic effect. (C) 2000 Elsevier Science B.V. All rights reserved.
关键词[WOS]: DIATOM-DIATOM REACTIONS ;  REACTION PROBABILITIES ;  RATE CONSTANTS ;  H-2+OH REACTION ;  AB-INITIO ;  HCL ;  DYNAMICS ;  O(1D2)+HCL->OH+CL ;  SURFACE ;  O(1D2)
语种: 英语
WOS记录号: WOS:000087969900020
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/138789
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 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
3.NYU, Dept Chem, New York, NY 10003 USA

Recommended Citation:
Lin, SY,Han, KL,Zhang, JZH. Accurate quantum-mechanical calculation for O(D-1)+DCl reaction[J]. CHEMICAL PHYSICS LETTERS,2000,324(1-3):122-126.
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