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Non-adiabatic dynamics of isolated green fluorescent protein chromophore anion 期刊论文
journal of chemical physics, 2014, 卷号: 141, 期号: 23, 页码: 235101
作者:  Zhao, Li;  Zhou, Pan-Wang;  Li, Bin;  Gao, Ai-Hua;  Han, Ke-Li
收藏  |  浏览/下载:16/0  |  提交时间:2015/11/16
Time-Dependent Wave-Packet Quantum Dynamics Study of the Ne + D-2(+) (v(0)=0-2; j(0)=0) -> NeD+ + D Reaction: Including the Coriolis Coupling 期刊论文
journal of physical chemistry a, 2014, 卷号: 118, 期号: 27, 页码: 5076
作者:  Yao CX(姚翠霞);  Zhang PY(张佩宇)
收藏  |  浏览/下载:17/0  |  提交时间:2015/11/16
Time-dependent quantum wave packet and quasiclassical trajectory studies of the Au(S-2) + H-2(X-1 n-ary sumation (+)(g)) -> AuH(X-1 n-ary sumation (+)(g)) + H(S-2) reaction 期刊论文
molecular physics, 2014, 卷号: 112, 期号: 22, 页码: 2945-2953
作者:  Yuan, Jiuchuang;  Cheng, Dahai;  Sun, Zhigang;  Chen, Maodu
收藏  |  浏览/下载:16/0  |  提交时间:2015/11/16
Efficient Fourth-Order Split Operator for Solving the Triatomic Reactive Schrodinger Equation in the Time-Dependent Wavepacket Approach 期刊论文
journal of physical chemistry a, 2014, 卷号: 118, 期号: 42, 页码: 9801-9810
作者:  Li, Wentao;  Zhang, Dong H.;  Sun, Zhigang
收藏  |  浏览/下载:17/0  |  提交时间:2015/11/16
Communication: Rigorous quantum dynamics of O + O-2 exchange reactions on an ab initio potential energy surface substantiate the negative temperature dependence of rate coefficients 期刊论文
journal of chemical physics, 2014, 卷号: 141, 期号: 8, 页码: 081102
作者:  Li, Yaqin;  Sun, Zhigang;  Jiang, Bin;  Xie, Daiqian;  Dawes, Richard
收藏  |  浏览/下载:23/0  |  提交时间:2015/11/16
Coriolis coupling effect of state-to-state quantum dynamics for He + HeH+ 期刊论文
theoretical chemistry accounts, 2014, 卷号: 133, 期号: 10, 页码: 1552
作者:  Wu, Dan;  Guo, Mingxing;  Wang, Yun;  Yin, Shuhui;  Sun, Zhigang
收藏  |  浏览/下载:16/0  |  提交时间:2015/11/16
State-to-State Reaction Dynamics in Collision of Deuterium Molecule with Excited-State Nitrogen Atom 期刊论文
bulletin of the chemical society of japan, 2014, 卷号: 87, 期号: 6, 页码: 670-676
作者:  Lu, Rui;  Chu, Tian-shu;  Chang, Zhi-shang;  Zhang, Wen-qing
收藏  |  浏览/下载:10/0  |  提交时间:2015/11/16
Single Pd Atom Embedded in CeO2(111) for NO Reduction with CO: A First-Principles Study 期刊论文
journal of physical chemistry c, 2014, 卷号: 118, 期号: 23, 页码: 12216-12223
作者:  Ding, Wu-Chen;  Gu, Xiang-Kui;  Su, Hai-Yan;  Li, Wei-Xue
收藏  |  浏览/下载:21/0  |  提交时间:2015/11/16
Calculation of state-to-state cross sections for triatomic reaction by the multi-configuration time-dependent Hartree method 期刊论文
journal of chemical physics, 2014, 卷号: 140, 期号: 16, 页码: 164108
作者:  Zhao, Bin;  Zhang, Dong-H;  Lee, Soo-Y;  Sun, Zhigang
收藏  |  浏览/下载:22/0  |  提交时间:2015/11/16
Six-dimensional quantum dynamics study for the dissociative adsorption of DCl on Au(111) surface 期刊论文
journal of chemical physics, 2014, 卷号: 140, 期号: 14, 页码: 144701
作者:  Liu, Tianhui;  Fu, Bina;  Zhang, Dong H.
收藏  |  浏览/下载:17/0  |  提交时间:2014/09/11


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