DICP OpenIR
A time-dependent quantum dynamical study of the C+(P-2) + H-2(D-2,HD) -> CH+(CD+) + H(D) reaction
Guo, Jin1; Zhang, Ai Jie1; Zhou, Yong2; Liu, Jian Yong3; Jia, Jian Feng1; Wu, Hai Shun1
关键词Time Dependent Wave Packet Integral Cross Sections Thermal Rate Constants
刊名CHEMICAL PHYSICS LETTERS
2017-12-01
DOI10.1016/j.cplett.2017.09.056
689页:121-127
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]ENDOTHERMIC REACTIONS ; RATE COEFFICIENTS ; CROSS-SECTIONS ; H+CH+ REACTION ; THRESHOLD ; TEMPERATURE ; HYDROGEN ; C+
英文摘要We present time-dependent quantum wave packet calculations for the C+(P-2) + H-2(D-2,HD) -> CH+(CD+) + H(D) reactions on the ground 1(2)A' potential energy surface developed by Li et al. ( 2015). The reaction probabilities, the integral cross sections and the thermal rate constants were obtained. The calculated thresholds of title reactions agree well with the thermochemical endothermicities. Moreover, the calculated thermal rate constant of C+ + H-2 reaction agrees well with experimental data, however, smaller than the experimental data for the C+ + HD and C+ + D-2 reactions. (C) 2017 Elsevier B.V. All rights reserved.
语种英语
WOS记录号WOS:000414089700019
引用统计
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/149789
专题中国科学院大连化学物理研究所
作者单位1.Shanxi Normal Univ, Key Lab Magnet Mol & Magnet Informat Mat, Minist Educ, Sch Chem & Mat Sci, Linfen 041004, Peoples R China
2.Anhui Normal Univ, Dept Phys, 1 Beijing East Rd, Wuhu 241000, Anhui, 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
Guo, Jin,Zhang, Ai Jie,Zhou, Yong,et al. A time-dependent quantum dynamical study of the C+(P-2) + H-2(D-2,HD) -> CH+(CD+) + H(D) reaction[J]. CHEMICAL PHYSICS LETTERS,2017,689:121-127.
APA Guo, Jin,Zhang, Ai Jie,Zhou, Yong,Liu, Jian Yong,Jia, Jian Feng,&Wu, Hai Shun.(2017).A time-dependent quantum dynamical study of the C+(P-2) + H-2(D-2,HD) -> CH+(CD+) + H(D) reaction.CHEMICAL PHYSICS LETTERS,689,121-127.
MLA Guo, Jin,et al."A time-dependent quantum dynamical study of the C+(P-2) + H-2(D-2,HD) -> CH+(CD+) + H(D) reaction".CHEMICAL PHYSICS LETTERS 689(2017):121-127.
条目包含的文件
条目无相关文件。
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Guo, Jin]的文章
[Zhang, Ai Jie]的文章
[Zhou, Yong]的文章
百度学术
百度学术中相似的文章
[Guo, Jin]的文章
[Zhang, Ai Jie]的文章
[Zhou, Yong]的文章
必应学术
必应学术中相似的文章
[Guo, Jin]的文章
[Zhang, Ai Jie]的文章
[Zhou, Yong]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。