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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
大连化学物理研究所 [8]
采集方式
OAI收割 [8]
内容类型
期刊论文 [8]
发表日期
2009 [3]
2008 [4]
2007 [1]
学科主题
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Nonadiabatic effects in the H+H-2 exchange reaction: Accurate quantum dynamics calculations at a state-to-state level
期刊论文
OAI收割
journal of chemical physics, 2009, 卷号: 130, 期号: 14
作者:
Chu, Tian-Shu
;
Han, Ke-Li
;
Hankel, Marlies
;
Balint-Kurti, Gabriel G.
;
Kuppermann, Aron
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2015/11/12
atom-molecule reactions
chemical exchanges
ground states
hydrogen neutral atoms
hydrogen neutral molecules
potential energy surfaces
reaction kinetics theory
vibrational modes
INITIAL ROTATIONAL QUANTUM STATE EXCITATION AND ISOTOPIC EFFECTS FOR THE O(D-1) plus HCl -> OH plus Cl (OCl plus H) REACTION
期刊论文
OAI收割
journal of theoretical & computational chemistry, 2009, 卷号: 8, 页码: 1003-1024
作者:
Yang, Huan
;
Han, Ke-Li
;
Nanbu, Shinkoh
;
Balint-Kurti, Gabriel G.
;
Zhang, Hong
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2015/11/12
Quantum reactive scattering
real wavepacket approach
OHCl
Boltzmann average
isotopic effects
Nonadiabatic effects in the H+H2 exchange reaction: Accurate quantum dynamics calculations at a state-to-state level
期刊论文
OAI收割
journal of chemical physics, 2009, 卷号: 130, 页码: 44301-1-44301-9
楚天舒
;
韩克利
;
Marlies Hankel
;
Gabriel G. Balint-Kurti
;
Aron Kuppermann
;
Ravinder Abrol
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2010/11/30
Quantum mechanical calculation of energy dependence of OCl/OH product branching ratio and product quantum state distributions for the O(D-1) plus HCl reaction on all three contributing electronic state potential energy surfaces
期刊论文
OAI收割
journal of physical chemistry a, 2008, 卷号: 112, 期号: 34, 页码: 7947-7960
作者:
Yang, Huan
;
Han, Ke-Li
;
Nanbu, Shinkoh
;
Nakamura, Hiroki
;
Balint-Kurti, Gabriel G.
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2015/11/12
Quantum dynamical study of the O((1)D) plus HCl reaction employing three electronic state potential energy surfaces
期刊论文
OAI收割
journal of chemical physics, 2008, 卷号: 128, 期号: 1
作者:
Yang, Huan
;
Han, Ke-Li
;
Nanbu, Shinkoh
;
Nakamura, Hiroki
;
Balint-Kurti, Gabriel G.
收藏
  |  
浏览/下载:45/0
  |  
提交时间:2015/11/11
Quantum dynamical study of the O(1D)+HCl reaction employing three electronic state potential energy surfaces
期刊论文
OAI收割
Journal of Chemical Physics, 2008, 卷号: 128, 期号: 1, 页码: 014308-1-014308-5
杨欢
;
韩克利
;
Shinkoh Nanbu
;
Hiroki Nakamura
;
Gabriel G. Balint-Kurti
;
张宏
;
Sean C. Smith
;
Marlies Hankel
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2010/11/30
Quantum Mechanical Calculation of Energy Dependence of OCl/OH Product BranchingRatio and Product Quantum State Distributions for the O(1D) + HCl Reaction on All Three Contributing Electronic State Potential Energy Surfaces
期刊论文
OAI收割
journal of physical chemistry a, 2008, 卷号: 112, 期号: 34, 页码: 7947-7960
杨欢
;
韩克利
;
Shinkoh Nanbu
;
Hiroki Nakamura
;
Gabriel G. Balint-Kurti
;
张宏
;
Sean C
;
Smith
;
and Marlies Hankel
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2010/11/30
Coriolis coupling effects in the calculation of state-to-state integral and differential cross sections for the H+D-2 reaction
期刊论文
OAI收割
journal of chemical physics, 2007, 卷号: 126, 期号: 21
作者:
Chu, Tian-Shu
;
Han, Ke-Li
;
Hankel, Marlies
;
Balint-Kurti, Gabriel G.
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2015/11/11