State-to-state differential cross sections for a four-atom reaction: H-2 + OH -> H2O + H in full dimensions

doi:10.1063/1.4963798

	State-to-state differential cross sections for a four-atom reaction: H-2 + OH -> H2O + H in full dimensions
	Zhang, Dong H.1,2; Zhao, Zhiqiang 1,2,3; Liu, Shu 1,2
刊名	JOURNAL OF CHEMICAL PHYSICS
	2016-10-07
卷号	145 期号:13
ISSN号	0021-9606
DOI	10.1063/1.4963798
文献子类	Article
英文摘要	The time-dependent wave packet method has been employed to calculate state-to-state differential cross sections for the title reaction in full dimensions. It is found that the majority of H2O is produced in the first stretching excited states, with a large fraction of available energy for the reaction ending up as product internal motion. The differential cross sections for collision energy up to 0.4 eV are all peaked in the backward direction, but the width of the angular distribution increases considerably as the increase of collision energy. The isotope effect was also examined by comparing the scattering angular distribution for the title reaction with those for the HD + OH and D-2 + OH reactions obtained in our previous work. Published by AIP Publishing.
WOS关键词	POTENTIAL-ENERGY SURFACES ; CENTRIFUGAL SUDDEN APPROXIMATION ; DIATOM-DIATOM REACTIONS ; WAVE-PACKET METHOD ; SCATTERING CALCULATIONS ; CHEMICAL-REACTIONS ; REACTION PROBABILITIES ; REACTION DYNAMICS ; QUANTUM DYNAMICS ; 6 DIMENSIONS
WOS研究方向	Chemistry ; Physics
语种	英语
出版者	AMER INST PHYSICS
WOS记录号	WOS:000386156200015
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/169910]
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
通讯作者	Liu, Shu
作者单位	1.Chinese Acad Sci, Ctr Theoret Computat Chem, Dalian Inst Chem Phys, Dalian 116023, Peoples R China 2.Chinese Acad Sci, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Zhang, Dong H.,Zhao, Zhiqiang,Liu, Shu. State-to-state differential cross sections for a four-atom reaction: H-2 + OH -> H2O + H in full dimensions[J]. JOURNAL OF CHEMICAL PHYSICS,2016,145(13).
APA	Zhang, Dong H.,Zhao, Zhiqiang,&Liu, Shu.(2016).State-to-state differential cross sections for a four-atom reaction: H-2 + OH -> H2O + H in full dimensions.JOURNAL OF CHEMICAL PHYSICS,145(13).
MLA	Zhang, Dong H.,et al."State-to-state differential cross sections for a four-atom reaction: H-2 + OH -> H2O + H in full dimensions".JOURNAL OF CHEMICAL PHYSICS 145.13(2016).