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: Exact Quantum-Scattering Study of the D(S-2)+DS((II)-I-2) Reaction
作者: Lv Shuang-Jiang1;  Zhang Pei-Yu1;  He Guo-Zhong1
刊名: CHINESE PHYSICS LETTERS
发表日期: 2012-07-01
DOI: 10.1088/0256-307X/29/7/073401
卷: 29, 期:7
收录类别: SCI
文章类型: Article
类目[WOS]: Physics, Multidisciplinary
研究领域[WOS]: Physics
英文摘要: The quantum scattering dynamics calculations are carried out for the exchange and abstraction processes in the D(S-2)+DS((II)-I-2) reaction by the time-dependent wave-packet (TDWP) method. These calculations are based on the high-quality ab initio potential energy surface of the reacting system. The reaction probabilities and integral cross sections are obtained in the collision energy (E-col) range of 0.0-2.0 eV for the reactant DS initially in the ground state and the first vibrationally excited state. We take the Coriolis coupling (CC) effect into account and present the comparison between the CC and the centrifugal sudden (CS) approximation calculation. The dynamics results show that the initial vibrational excitation of DS enhances both abstraction and exchange processes except that it has little effect on the abstraction cross section in the high energy region.
关键词[WOS]: CONFIGURATION-INTERACTION CALCULATIONS ;  CHEMICAL-REACTION DYNAMICS ;  WAVE-PACKET
语种: 英语
WOS记录号: WOS:000306551200024
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/142887
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.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

Recommended Citation:
Lv Shuang-Jiang,Zhang Pei-Yu,He Guo-Zhong. Exact Quantum-Scattering Study of the D(S-2)+DS((II)-I-2) Reaction[J]. CHINESE PHYSICS LETTERS,2012,29(7).
Service
 Recommend this item
 Sava as my favorate item
 Show this item's statistics
 Export Endnote File
Google Scholar
 Similar articles in Google Scholar
 [Lv Shuang-Jiang]'s Articles
 [Zhang Pei-Yu]'s Articles
 [He Guo-Zhong]'s Articles
CSDL cross search
 Similar articles in CSDL Cross Search
 [Lv Shuang-Jiang]‘s Articles
 [Zhang Pei-Yu]‘s Articles
 [He Guo-Zhong]‘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