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Microdynamics study on reaction of atom H and radical NH (Chi(3)Sigma)
Xu, LJ; Yan, JM; Kong, F
关键词Microdynamics Of Reaction Quasiclassical Trajectory Calculation Leps Potential Energy Surface Direct Reaction
刊名CHINESE SCIENCE BULLETIN
1999-06-01
44期:11页:1000-1003
收录类别SCI
文章类型Article
WOS标题词Science & Technology
类目[WOS]Multidisciplinary Sciences
研究领域[WOS]Science & Technology - Other Topics
英文摘要The dynamics of the H + NH-->N + H-2 reaction has been investigated by means of the 3-atom model quasiclassical trajectory approach. The LEPS potential energy surface is employed in the study, which is obtained from the ab initio results and has an early saddle point in the minimum energy path, The results indicate that the reaction product H-2 is mainly scattered backward, and the reaction is found to occur via a direct channel. The product H-2 is in a cold excitation of rotational state, but has a hot vibrational excitation. Based on the potential surface and the trajectory analysis, the reaction mechanism has been explained successfully.
语种英语
WOS记录号WOS:000082563400008
引用统计
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/138560
专题中国科学院大连化学物理研究所
作者单位Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China
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GB/T 7714
Xu, LJ,Yan, JM,Kong, F. Microdynamics study on reaction of atom H and radical NH (Chi(3)Sigma)[J]. CHINESE SCIENCE BULLETIN,1999,44(11):1000-1003.
APA Xu, LJ,Yan, JM,&Kong, F.(1999).Microdynamics study on reaction of atom H and radical NH (Chi(3)Sigma).CHINESE SCIENCE BULLETIN,44(11),1000-1003.
MLA Xu, LJ,et al."Microdynamics study on reaction of atom H and radical NH (Chi(3)Sigma)".CHINESE SCIENCE BULLETIN 44.11(1999):1000-1003.
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