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题名: A time-dependent quantum dynamical study of the O(P-3) + D-2(+) -> OD+ + D reaction
作者: 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
发表日期: 2017-05-16
DOI: 10.1016/j.cplett.2017.03.026
卷: 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
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.
关键词[WOS]: REACTIVE SCATTERING ;  ENERGIES
语种: 英语
WOS记录号: WOS:000400531700013
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/151994
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.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

Recommended Citation:
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.
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