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Vacuum Ultraviolet Photodissociation Dynamics of Isocyanic Acid: The Hydrogen Elimination Channel 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2013, 卷号: 117, 期号: 50, 页码: 13564-13571
Authors:  Yu, Shengrui;  Su, Shu;  Dai, Dongxu;  Yuan, Kaijun;  Yang, Xueming;  Yuan KJ(袁开军);  Yang XM(杨学明)
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Effect of Ion Pairing on the Solution Dynamics Investigated by the Simulations of the Optical Kerr Effect and the Dielectric Relaxation Spectra 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 卷号: 117, 期号: 49, 页码: 15395-15406
Authors:  Zhang, Ruiting;  Zhuang, Wei;  Zhuang W(庄巍)
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UNDERSTANDING THE MOLECULAR MECHANISM OF BINDING MODES OF AURORA A INHIBITORS BY LONG TIME SCALE GPU DYNAMICS 期刊论文
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2013, 卷号: 12, 期号: 8, 页码: 1341003
Authors:  Fu, Ting;  Wu, Xue;  Xiu, Zhilong;  Wang, Jinguang;  Yin, Liu;  Li, Guohui;  Li GH(李国辉)
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Aurora a  Molecular Dynamics Simulations  Mm-pb/gbsa  
Competition between Direct and Indirect Dissociation Pathways in Ultraviolet Photodissociation of HNCO 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2013, 卷号: 117, 期号: 46, 页码: 11673-11678
Authors:  Yu, Shengrui;  Su, Shu;  Dorenkamp, Yvonne;  Wodtke, Alec M.;  Dai, Dongxu;  Yuan, Kaijun;  Yang, Xueming;  Yang XM(杨学明);  Yuan KJ(袁开军)
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Time-Dependent Wave Packet Quantum Scattering and Quasi-Classical Trajectory Calculations of the H plus FCl(v=0,j=0) -> HF plus Cl/HCl plus F Reaction 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2013, 卷号: 117, 期号: 45, 页码: 11411-11419
Authors:  Zhao, Juan;  Miao, Xiangyang;  Luo, Yi
Favorite  |  View/Download:11/0  |  Submit date:2015/11/09
Six-dimensional quantum dynamics study for the dissociative adsorption of HCl on Au(111) surface 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2013, 卷号: 139, 期号: 18, 页码: 184705
Authors:  Liu, Tianhui;  Fu, Bina;  Zhang, Dong H.;  Zhang DH(张东辉)
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DFT Study on the NMR Chemical Shifts of Molecules Confined in Carbon Nanotubes 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2013, 卷号: 117, 期号: 44, 页码: 23418-23424
Authors:  Ren, Pengju;  Zheng, Anmin;  Pan, Xiulian;  Han, Xiuwen;  Bao, Xinhe;  Bao XH(包信和)
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Femtosecond Photodetachment of Silver Anions 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2013, 卷号: 117, 期号: 44, 页码: 11210-11216
Authors:  Liu, Benkang;  Long, Tao;  Wang, Yanqiu;  Wang, Li;  Wang L(王利)
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Probing Quantum Dynamics of Elementary Chemical Reactions via Accurate Potential Energy Surfaces 期刊论文
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS, 2013, 卷号: 227, 期号: 9-11, 页码: 1247-1265
Authors:  Yang, Xueming;  Zhang, Dong Hui;  Yang XM(杨学明);  Zhang DH(张东辉)
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Potential Energy Surface  Reaction Dynamics  Elementary Chemical Reaction  Transition State  
Nonadiabatic dynamics study of bridged-azobenzene by the time-dependent density functional tight-binding method 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2013, 卷号: 1023, 页码: 10-18
Authors:  Fan, Guohong;  Liu, Jianyong;  He, Guozhong;  Liu JY(刘建勇)
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Nonadiabatic Dynamics  Photo-isomerization  Zhu-nakamura Theory  Bridged-azobenzene  Time-dependent Density Functional Tight-binding Method