A time-dependent quantum dynamical study of the O(P-3) + D-2(+) -> OD+ + D reaction

	A time-dependent quantum dynamical study of the O(P-3) + D-2(+) -> OD+ + D reaction
	Yi-Wang 2; Zhang, Ai-jie 1; Zang, Kai-lu 1; Jia, Jian-feng 1; Wu, Hai-shun 1; Zhao, Guang-jiu 3
刊名	CHEMICAL PHYSICS LETTERS
	2017-05-16
卷号	676 页码:77-81
关键词	Taguchi M-32 statistical design Granulation process Oil-drop route Mesoporous materials Texture characteristics
英文摘要	The O(P-3) + D-2(+) -> OD+ + D reaction is studied using time-dependent wave packet method on the ground 1(2)A" potential energy surface developed by Paniagua et al. (2014). Initial-state-resolved reaction probabilities, integral cross sections (ICSs) and rate constants are obtained within the centrifugal sudden approximation. The present quantum ICS of O(P-3) + D-2(+) reaction is larger than the BO-CS O(P-3) + H-2(+) result in the low collision energy range. Moreover, the calculated ICS of O(P-3) + D-2(+) reaction is smaller than the experimental result. (C) 2017 Elsevier B.V. All rights reserved.
WOS标题词	Science & Technology ; Physical Sciences
类目[WOS]	Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
研究领域[WOS]	Chemistry ; Physics
关键词[WOS]	REACTIVE SCATTERING ; ENERGIES
收录类别	SCI
语种	英语
WOS记录号	WOS:000400531700013
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/151994]
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	1.Shanxi Normal Univ, Sch Chem & Mat Sci, Minist Educ, Key Lab Magnet Mol & Magnet Informat Mat, Linfen 041004, Peoples R China 2.Dalian Polytech Univ, Sch Biol Engn, Dalian 116034, Peoples R China 3.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
推荐引用方式 GB/T 7714	Yi-Wang,Zhang, Ai-jie,Zang, Kai-lu,et al. A time-dependent quantum dynamical study of the O(P-3) + D-2(+) -> OD+ + D reaction[J]. CHEMICAL PHYSICS LETTERS,2017,676:77-81.
APA	Yi-Wang,Zhang, Ai-jie,Zang, Kai-lu,Jia, Jian-feng,Wu, Hai-shun,&Zhao, Guang-jiu.(2017).A time-dependent quantum dynamical study of the O(P-3) + D-2(+) -> OD+ + D reaction.CHEMICAL PHYSICS LETTERS,676,77-81.
MLA	Yi-Wang,et al."A time-dependent quantum dynamical study of the O(P-3) + D-2(+) -> OD+ + D reaction".CHEMICAL PHYSICS LETTERS 676(2017):77-81.