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A time-dependent quantum dynamical study of the O(P-3) + D-2(+) -> OD+ + D reaction
Zhang, Ai-jie1; Zang, Kai-lu1; Jia, Jian-feng1; Wu, Hai-shun1; Yi-Wang2; Zhao, Guang-jiu3
关键词Taguchi M-32 Statistical Design Granulation Process Oil-drop Route Mesoporous Materials Texture Characteristics
刊名CHEMICAL PHYSICS LETTERS
2017-05-16
DOI10.1016/j.cplett.2017.03.026
676页:77-81
收录类别SCI
文章类型Article
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
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.
语种英语
WOS记录号WOS:000400531700013
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文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/151994
专题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
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Zhang, Ai-jie,Zang, Kai-lu,Jia, Jian-feng,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 Zhang, Ai-jie,Zang, Kai-lu,Jia, Jian-feng,Wu, Hai-shun,Yi-Wang,&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 Zhang, Ai-jie,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.
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