中国科学院大连化学物理研究所机构知识库
Advanced  
DICP OpenIR  > 中国科学院大连化学物理研究所  > 期刊论文
题名: A time-dependent quantum dynamical study of the C+(P-2) + H-2(D-2,HD) -> CH+(CD+) + H(D) reaction
作者: 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
发表日期: 2017-12-01
DOI: 10.1016/j.cplett.2017.09.056
卷: 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
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.
关键词[WOS]: ENDOTHERMIC REACTIONS ;  RATE COEFFICIENTS ;  CROSS-SECTIONS ;  H+CH+ REACTION ;  THRESHOLD ;  TEMPERATURE ;  HYDROGEN ;  C+
语种: 英语
WOS记录号: WOS:000414089700019
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/149789
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

Files in This Item:

There are no files associated with this item.


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

Recommended Citation:
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.
Service
 Recommend this item
 Sava as my favorate item
 Show this item's statistics
 Export Endnote File
Google Scholar
 Similar articles in Google Scholar
 [Guo, Jin]'s Articles
 [Zhang, Ai Jie]'s Articles
 [Zhou, Yong]'s Articles
CSDL cross search
 Similar articles in CSDL Cross Search
 [Guo, Jin]‘s Articles
 [Zhang, Ai Jie]‘s Articles
 [Zhou, Yong]‘s Articles
Related Copyright Policies
Null
Social Bookmarking
  Add to CiteULike  Add to Connotea  Add to Del.icio.us  Add to Digg  Add to Reddit 
所有评论 (0)
暂无评论
 
评注功能仅针对注册用户开放,请您登录
您对该条目有什么异议,请填写以下表单,管理员会尽快联系您。
内 容:
Email:  *
单位:
验证码:   刷新
您在IR的使用过程中有什么好的想法或者建议可以反馈给我们。
标 题:
 *
内 容:
Email:  *
验证码:   刷新

Items in IR are protected by copyright, with all rights reserved, unless otherwise indicated.

 

 

Valid XHTML 1.0!
Powered by CSpace