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题名: Quasi-classical trajectory study on the H++H-2 reaction
作者: Hui Song;  Xiu-Yan Wang;  Skodje, Rex. T.;  Xue-ming Yang
关键词: ion-molecule ;  reaction dynamics ;  classical trajectory calculations
刊名: CHINESE JOURNAL OF CHEMICAL PHYSICS
发表日期: 2006-10-27
DOI: 10.1360/cjcp2OO6.19(5).375.4
卷: 19, 期:5, 页:375-378
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: Quasi-classical trajectory (QCT) calculations on the H++H-2 reaction system were carried out on a new potential energy surface (PES). Theoretical calculations show that the angular distribution of the forward and backward products is roughly symmetric for the title reaction. The product rotational state distribution was also determined at a few collision energies. In the collision energy range from 0.124 eV to 1.424 eV, the integral cross section for this system monotonically decreases with the collision energy. A comparison with the experimental result of the ion-molecule reaction was also made, the agreement is generally good.
关键词[WOS]: CHEMICAL-REACTIONS ;  SURFACE ;  SYSTEM ;  TRANSITIONS ;  H+ ;  D2
语种: 英语
WOS记录号: WOS:000242001700001
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/140314
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

Recommended Citation:
Hui Song,Xiu-Yan Wang,Skodje, Rex. T.,et al. Quasi-classical trajectory study on the H++H-2 reaction[J]. CHINESE JOURNAL OF CHEMICAL PHYSICS,2006,19(5):375-378.
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