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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 [18]
化学研究所 [1]
武汉物理与数学研究所 [1]
采集方式
OAI收割 [20]
内容类型
期刊论文 [20]
发表日期
2017 [1]
2016 [1]
2015 [2]
2014 [2]
2013 [4]
2012 [2]
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学科主题
物理化学 [1]
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Quasi-classical trajectory insight into stereodynamics for reaction He + D-2(+) -> HeD+ + D with the improved potential energy surface
期刊论文
OAI收割
JOURNAL OF MATHEMATICAL CHEMISTRY, 2017, 卷号: 55, 期号: 5, 页码: 1173-1186
作者:
Zhao, Ningjiu
;
Liu, Yufang
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2017/10/29
Quasi-classical trajectory
Stereodynamics
Vector correlation
Polarization
Alignment
Vibrational and rotational states
Energy and rotation-dependent stereodynamics of H(S-2) + NH(a(1)Delta) -> H-2(X-1 Sigma(+)(g)) + N(D-2) reaction
期刊论文
OAI收割
CHINESE PHYSICS B, 2016, 卷号: 25, 期号: 2
作者:
Yu, Yang
;
Ma, Feng-Cai
;
Li, Yong-Qing
;
Yang, Yun-Fan
;
Zhang, Yong-Jia
  |  
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2019/06/20
Differential Cross Section
Stereodynamics
Rotational Excitation
Rotational Polarization
Vector Correlation
Vector correlations study of the reaction N(D-2) + H-2(X-1 Sigma(+)(g)) -> NH(a(1)Delta) + H(S-2) with different collision energies and reagent vibration excitations
期刊论文
OAI收割
CHINESE PHYSICS B, 2015, 卷号: 24, 期号: 11
作者:
Li Yong-Qing
;
Zhang Yong-Jia
;
Zhao Jin-Feng
;
Zhao Mei-Yu
;
Ding Yong
  |  
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2019/06/20
Vector Correlations
Vibrational Excitation
Differential Cross Section
Stereodynamics
Rotational Polarization
Stereodynamics of the reactions: F+H-2/HD/HT -> FH plus H/D/T
期刊论文
OAI收割
chinese physics b, 2015, 卷号: 24, 期号: 5
作者:
Chi Xiao-Lin
;
Zhao Jin-Feng
;
Zhang Yong-Jia
;
Ma Feng-Cai
;
Li Yong-Qing
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2015/11/17
quasi-calssical trajectory
stereodynamics
potential energy surface
isotope effect
Theoretical study of stereodynamics for the N + H-2/D-2/T-2 reactions
期刊论文
OAI收割
chinese physics b, 2014, 卷号: 23, 期号: 12
作者:
Li Yong-Qing
;
Zhao Jin-Feng
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2015/11/17
quasi-classical trajectory method
stereodynamics
potential energy surface
product polarization
Stereodynamics investigation of F plus HO -> HF + O(D-1) on the ground singlet potential energy surface by means of the quasi-classical trajectory method
期刊论文
OAI收割
canadian journal of chemistry-revue canadienne de chimie, 2014, 卷号: 92, 期号: 3, 页码: 250-256
作者:
Zhao, Dan
;
He, Xiaohu
;
Guo, Wei
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2015/11/17
stereodynamics
quasi-classical trajectory
collision energy
isotopic effect
initial ro-vibrational excitation
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
;
Zhao Guang-Jiu
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
The stereodynamic properties of the F+HO (v, j) -> HF+O reaction on (1)A ' and (3)A ' potential energy surfaces by quasi-classical trajectory calculations: Initial excitation effect (v=1-3, j=0 and v=0, j=1-3)
期刊论文
OAI收割
chinese physics b, 2013, 卷号: 22, 期号: 6
作者:
Zhao Dan
;
Chu Tian-Shu
;
Hao Ce
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2015/11/09
stereodynamics
quasi-classical trajectory
rotational excitation
vibrational excitation
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