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题名: Microdynamics study on reaction of atom H and radical NH (Chi(3)Sigma)
作者: 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
发表日期: 1999-06-01
卷: 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
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/138560
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, Inst Chem, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China

Recommended Citation:
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.
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