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Quasi-classical trajectory study on the H++H-2 reaction
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
2006-10-27
DOI10.1360/cjcp2OO6.19(5).375.4
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
关键词[WOS]CHEMICAL-REACTIONS ; SURFACE ; SYSTEM ; TRANSITIONS ; H+ ; D2
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.
语种英语
WOS记录号WOS:000242001700001
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被引频次:6[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/140314
专题中国科学院大连化学物理研究所
作者单位Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
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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.
APA Hui Song,Xiu-Yan Wang,Skodje, Rex. T.,&Xue-ming Yang.(2006).Quasi-classical trajectory study on the H++H-2 reaction.CHINESE JOURNAL OF CHEMICAL PHYSICS,19(5),375-378.
MLA Hui Song,et al."Quasi-classical trajectory study on the H++H-2 reaction".CHINESE JOURNAL OF CHEMICAL PHYSICS 19.5(2006):375-378.
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