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: The nonadiabatic quantum dynamics of the F((2) P-1/2, (2) P-3/2)+HD reaction on modified Alexander, Stark, and Werner potential energy surfaces
作者: Xie, TX;  Zhang, Y;  Han, KL
刊名: CHEMICAL PHYSICS LETTERS
发表日期: 2004-11-11
DOI: 10.1016/j.cplett.2004.09.073
卷: 398, 期:4-6, 页:313-317
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: In this Letter, the barrier height of the Alexander, Stark and Werner (ASW) potential energy surfaces is adjusted using the scale external correlation technique, which lowers by 0.016 eV the lowest barrier for the bent configuration and lowers by 0.015 eV the collinear barrier of the ASW diagonal diabatic potentials. The calculated integral cross sections for the reaction of F(P-2(3/2)) with HD, using the time-dependent quantum wave packet method, show that the position of the resonance is about 0.026 eV, which is in the good agreement with experimental data. (C) 2004 Elsevier B.V. All rights reserved.
关键词[WOS]: DIFFERENTIAL CROSS-SECTIONS ;  TRANSITION-STATE THEORY ;  F+H-2 REACTION ;  CL+HCL->CLH+CL REACTION ;  CHEMICAL-REACTIONS ;  MOLECULAR-BEAM ;  FLUORINE-ATOMS ;  SCATTERING ;  HD ;  RESONANCES
语种: 英语
WOS记录号: WOS:000224852800007
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/138449
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, Ctr Computat Chem, Dalian 116023, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

Recommended Citation:
Xie, TX,Zhang, Y,Han, KL. The nonadiabatic quantum dynamics of the F((2) P-1/2, (2) P-3/2)+HD reaction on modified Alexander, Stark, and Werner potential energy surfaces[J]. CHEMICAL PHYSICS LETTERS,2004,398(4-6):313-317.
Service
 Recommend this item
 Sava as my favorate item
 Show this item's statistics
 Export Endnote File
Google Scholar
 Similar articles in Google Scholar
 [Xie, TX]'s Articles
 [Zhang, Y]'s Articles
 [Han, KL]'s Articles
CSDL cross search
 Similar articles in CSDL Cross Search
 [Xie, TX]‘s Articles
 [Zhang, Y]‘s Articles
 [Han, KL]‘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