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题名: Stereodynamics studies of the Sr plus HF reaction using time-dependent quantum wave packet method
作者: Tang, BY;  Yang, BH;  Zhang, L;  Han, KL;  Zhang, JZH
刊名: CHEMICAL PHYSICS LETTERS
发表日期: 2000-09-15
卷: 327, 期:5-6, 页:381-388
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: A time-dependent wave packet calculation is carried out for the Sr + HF reaction in three dimensions. The effects of the reagent initial excitation on the total reaction probabilities (final states summed) as a function of collision energy are studied for the upsilon = 0, 1 and j < 20 states of HF. It is found that the vibrational excitation can enhance effectively the Sr + HF reaction. A detailed study on steric effects for the reaction at zero total angular momentum is also performed. The calculated results show that the F side of the HF molecule is the most favorite side for reactive attacks and the reactivity strongly depends on the attack angle. (C) 2000 Published by Elsevier Science B.V.
关键词[WOS]: MOLECULAR-BEAM REACTION ;  CHANGING REAGENT ENERGY ;  VIBRATIONAL-EXCITATION ;  REACTION DYNAMICS ;  LI+HF->LIF+H REACTION ;  STATE ;  REPRESENTATION ;  PROBABILITIES ;  SCATTERING ;  COLLISION
语种: 英语
WOS记录号: WOS:000089301900018
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/138675
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 USA
4.Xiangtan Univ, Dept Phys, Hunan 411105, Peoples R China

Recommended Citation:
Tang, BY,Yang, BH,Zhang, L,et al. Stereodynamics studies of the Sr plus HF reaction using time-dependent quantum wave packet method[J]. CHEMICAL PHYSICS LETTERS,2000,327(5-6):381-388.
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