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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 [14]
化学研究所 [7]
采集方式
OAI收割 [21]
内容类型
期刊论文 [21]
发表日期
2015 [1]
2013 [4]
2006 [1]
2005 [1]
2002 [2]
2001 [1]
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Quasiclassical Trajectory Study of the Reaction of CD4 with O(D-1)
期刊论文
OAI收割
chinese journal of chemical physics, 2015, 卷号: 28, 期号: 4, 页码: 403-408
作者:
Shao, Ke-jie
;
Fu, Bi-na
;
Zhang, Dong H.
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2015/11/17
Multichannel reaction
Reaction dynamics
Quasiclassical trajectory
Potential energy surface
Quasiclassical state-to-state dynamics of the F plus HCl reaction on a ground 1(2)A ' potential energy surface
期刊论文
OAI收割
computational and theoretical chemistry, 2013, 卷号: 1024, 页码: 69-75
作者:
Duan, Zhi-Xin
;
Qiu, Ming-Hui
;
Yao, Cui-Xia
收藏
  |  
浏览/下载:100/0
  |  
提交时间:2015/11/09
F plus HCl
Quasiclassical trajectory
Rovibrational distribution
Differential cross sections
Rotational polarization
Quasiclassical trajectory theoretical study on the chemical stereodynamics of the O(D-1) + H-2 -> OH plus H reaction and its isotopic variants (HD, D-2)
期刊论文
OAI收割
chinese physics b, 2013, 卷号: 22, 期号: 8
作者:
Yao Cui-Xia
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2015/11/09
chemical stereodynamics
quasiclassical trajectory
vibrational and rotational excitation
product alignment and orientation
Energy-dependent stereodynamics for the H(S-2)+NH(X-3(Sigma)over-bar)-> H-2(X-1 Sigma(+)(g))+N(S-4) reaction on the improved ZH potential energy surface
期刊论文
OAI收割
canadian journal of chemistry-revue canadienne de chimie, 2013, 卷号: 91, 期号: 6, 页码: 387-391
作者:
Yao, Cui-Xia
;
Zhao, Guang-Jiu
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2015/11/09
chemical stereodynamics
quasiclassical trajectory
product alignment
orientation
STEREODYNAMICS, MASS EFFECT AND DOCKING FROM O(P-3) + HD -> OH plus D AT E-col=0.4-1.0 eV AND O(P-3)+HD -> OD plus H AT E-col=0.5-1.0 eV
期刊论文
OAI收割
journal of theoretical & computational chemistry, 2013, 卷号: 12, 期号: 1
作者:
Chao (Wu), Victor Wei-Keh
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2015/11/09
Quasiclassical trajectory (QCT) calculation
stereodynamics
alignment
rotational angular momentum
polarization-dependent differential cross section (PDDCS)
O plus HD reaction
mass effect
docking
drug modification
drug delivery
Stereodynamics study of the N(S-4)+O-2(X-3 Sigma(-)(g))-> O(P-3)+NO(X-2 Pi) reaction
期刊论文
OAI收割
chemical physics, 2006, 卷号: 327, 期号: 2-3, 页码: 529-535
作者:
Ma, Jian-Jun
;
Chen, Mao-Du
;
Cong, Shu-Lin
;
Han, Ke-Li
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2015/11/11
quasiclassical trajectory
vector correlations
stereodynamics
Theoretical study of the stereodynamics of the reaction Cl+C3H8 -> C3H7+HCl
期刊论文
OAI收割
chemical physics, 2005, 卷号: 309, 期号: 2-3, 页码: 223-230
作者:
Liu, YF
;
Meng, HY
;
Han, KL
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2015/11/10
quasiclassical trajectory
vector correlations
hydrogen abstraction propane
Product polarization and state distributions of the Cl+HD reaction
期刊论文
OAI收割
chinese journal of chemical physics, 2002, 卷号: 15, 期号: 4, 页码: 247-254
作者:
Chen, MD
;
Tang, BY
;
Han, KL
;
Lou, NQ
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2015/11/10
quasiclassical trajectory calculation
potential energy surface
product rotational alignment
Quasiclassical trajectory simulation of the chemical reaction Ba+HF (nu,J)-> BaF( nu ',J ')+H
期刊论文
OAI收割
chinese journal of chemical physics, 2002, 卷号: 15, 期号: 3, 页码: 169-174
作者:
Zhang, X
;
Xie, TX
;
Zhao, MY
;
Han, KL
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2015/11/10
quasiclassical trajectory method
LEPS potential energy surface
abstraction reaction
insertion reaction
Quasiclassical trajectory study of reaction of chlorine substituting the primary hydrogen of propane
期刊论文
OAI收割
ACTA PHYSICO-CHIMICA SINICA, 2001, 卷号: 17, 期号: 2, 页码: 119-122
作者:
Zhang, TL
;
Yan, JM
;
Kong, FA
  |  
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/04/09
Quasiclassical Trajectory Calculation
Propane
Primary Hydrogen
Collision Complex