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CAS IR Grid
机构
大连化学物理研究所 [53]
采集方式
OAI收割 [53]
内容类型
期刊论文 [53]
发表日期
2013 [53]
学科主题
物理化学 [18]
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共53条,第1-10条
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发表日期:2013
专题:大连化学物理研究所
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Dynamical Resonances Accessible Only by Reagent Vibrational Excitation in the F plus HD -> HF plus D Reaction
期刊论文
OAI收割
science, 2013, 卷号: 342, 期号: 6165, 页码: 1499-1502
作者:
Wang, Tao
;
Chen, Jun
;
Yang, Tiangang
;
Xiao, Chunlei
;
Sun, Zhigang
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2015/11/09
Ion Pairing Kinetics Does not Necessarily Follow the Eigen-Tamm Mechanism
期刊论文
OAI收割
chinese journal of chemical physics, 2013, 卷号: 26, 期号: 6, 页码: 694-700
作者:
Zhang, Qiang
;
Zhang, Bing-bing
;
Jiang, Ling
;
Zhuang, Wei
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2015/11/09
Ion pairing
Eigen-Tamm model
Potential of mean force
Ultracold Neutral Plasma Produced by One-Color Two-Photon Ionization in Supersonic Nitric Oxide Molecular Beam
期刊论文
OAI收割
chinese physics letters, 2013, 卷号: 30, 期号: 12, 页码: 125201
作者:
Li Hui
;
Shi Zhe
;
Liu Jin-Bo
;
Guo Jing-Wei
;
Zhou Can-Hua
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2014/09/11
Time-dependent Density Functional-based Tight-bind Method Efficiently Implemented with OpenMP Parallel and GPU Acceleration
期刊论文
OAI收割
chinese journal of chemical physics, 2013, 卷号: 26, 期号: 6, 页码: 635-645
作者:
Fan, Guo-hong
;
Han, Ke-li
;
He, Guo-zhong
收藏
  |  
浏览/下载:53/0
  |  
提交时间:2015/11/09
Density-functional theory
Tight-binding method
Time-dependent density functional theory
Excited state
Graphical processing unit
Krylov iterative algorithm
Sparse matrix
OpenMP
Mapped Finite Element Discrete Variable Representation
期刊论文
OAI收割
chinese journal of chemical physics, 2013, 卷号: 26, 期号: 6, 页码: 755-764
作者:
Yu, De-quan
;
Cong, Shu-lin
;
Zhang, Dong H.
;
Sun, Zhi-gang
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2015/11/09
Discrete variable representation
Mapped Fourier method
Ultra-cold atomic photoassociation
Schrodinger equation solver
Singularity of Coulomb potential
Band-Gap States of TiO2(110): Major Contribution from Surface Defects
期刊论文
OAI收割
journal of physical chemistry letters, 2013, 卷号: 4, 期号: 22, 页码: 3839-3844
作者:
Mao, Xinchun
;
Lang, Xiufeng
;
Wang, Zhiqiang
;
Hao, Qunqing
;
Wen, Bo
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2014/09/11
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:93/0
  |  
提交时间:2015/11/09
F plus HCl
Quasiclassical trajectory
Rovibrational distribution
Differential cross sections
Rotational polarization
Nonadiabatic dynamics study of bridged-azobenzene by the time-dependent density functional tight-binding method
期刊论文
OAI收割
computational and theoretical chemistry, 2013, 卷号: 1023, 页码: 10-18
作者:
Fan, Guohong
;
Liu, Jianyong
;
He, Guozhong
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2014/09/11
Nonadiabatic dynamics
Photo-isomerization
Zhu-Nakamura theory
Bridged-azobenzene
Time-dependent density functional tight-binding method
Time-resolved infrared spectroscopic investigation of roles of valence states of Cr in (La,Cr)-doped SrTiO3 photocatalysts
期刊论文
OAI收割
chinese journal of catalysis, 2013, 卷号: 34, 期号: 11, 页码: 2036-2040
作者:
Shen, Shuai
;
Jia, Yushuai
;
Fan, Fengtao
;
Feng, Zhaochi
;
Li, Can
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2015/11/09
Time-resolved spectroscopy
Chromium doping
Strontium titanate
Photocatalysis
Nickel on a macro-mesoporous Al2O3@ZrO2 core/shell nanocomposite as a novel catalyst for CO methanation
期刊论文
OAI收割
international journal of hydrogen energy, 2013, 卷号: 38, 期号: 32, 页码: 13926-13937
作者:
Yang, Xuzhuang
;
Wang, Xin
;
Gao, Guanjun
;
Wendurima
;
Liu, Erming
收藏
  |  
浏览/下载:38/0
  |  
提交时间:2015/11/09
CO methanation
Ni/Al2O3@ZrO2
SNG
Macro-mesoporous material