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  > 会议论文
学科主题: 物理化学
题名: Accurate Theoretical Study of Chemical Reaction Dynamics
作者: Zhang DH(张东辉)
会议名称: The 8th Congress of World Association of Theoretical and Computational Chemists-WATOC08
会议日期: 2008-9-13
出版日期: 2008-09-13
会议地点: 澳大利亚
通讯作者: Dong Hui Zhang
部门归属: 十一室
主办者: 澳大利亚
摘要: I will present some of our recent work on theoretical studies of chemical reaction dynamics at a quantitative level which combines accurately constructed potential energy surfaces and quantum reactive scattering calculations. I will first introduce a new hierarchical construction scheme for accurate potential energy surface generation, with applications to the H + H2 and F + H2 reaction [1]. Following that, I will show some dynamical results for F + H2 and F + HD reactions, and compare these with the most recent experiments on these systems [2-4]. If time permits, I will briefly report the progress we have made on the dynamics study of the H + CH4 reaction at the end of the talk.
语种: 中文
内容类型: 会议论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/112944
Appears in Collections:中国科学院大连化学物理研究所_会议论文

Files in This Item:

There are no files associated with this item.


Recommended Citation:
Zhang DH. Accurate Theoretical Study of Chemical Reaction Dynamics[C]. 见:The 8th Congress of World Association of Theoretical and Computational Chemists-WATOC08. 澳大利亚. 2008-9-13.
Service
 Recommend this item
 Sava as my favorate item
 Show this item's statistics
 Export Endnote File
Google Scholar
 Similar articles in Google Scholar
 [张东辉]'s Articles
CSDL cross search
 Similar articles in CSDL Cross Search
 [张东辉]‘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