Microdynamics study on reaction of atom H and radical NH (Chi(3)Sigma)

	Microdynamics study on reaction of atom H and radical NH (Chi(3)Sigma)
	Xu, LJ; Yan, JM; Kong, F
刊名	chinese science bulletin
	1999-06-01
卷号	44 期号:11 页码:1000-1003
关键词	microdynamics of reaction quasiclassical trajectory calculation LEPS potential energy surface direct reaction
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.
WOS标题词	science & technology
类目[WOS]	multidisciplinary sciences
研究领域[WOS]	science & technology - other topics
收录类别	SCI
语种	英语
WOS记录号	WOS:000082563400008
公开日期	2015-11-10
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/138560]
专题	大连化学物理研究所_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
推荐引用方式 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.