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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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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  
Quantum Dynamics Studies of Polyatomic Reactions 会议论文
Quantum Reactive Scattering 2013, 波尔多, 2013-6-10
Authors:  Zhang DH(张东辉)
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Reaction mechanism for methanol oxidation on Au(1 1 1): A density functional theory study 期刊论文
APPLIED SURFACE SCIENCE, 2013, 卷号: 265, 页码: 443-451
Authors:  Liu, Shuping;  Jin, Peng;  Zhang, Donghui;  Hao, Ce;  Yang, Xueming;  Liu SP(刘淑萍)
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Gold Catalysis  Methanol  Oxidation  Esterification  Density Functional Calculations  
A global potential energy surface for the H2 + OH ↔ H2O + H reaction using neural networks 期刊论文
Journal of Chemical Physics, 2013, 卷号: 138, 页码: 1543011
Authors:  Chen J(陈俊);  Xu X(徐昕);  Zhang DH(张东辉)
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A six-dimensional state-to-state quantum dynamics study of the H + CH4 → H2 + CH3 reaction 期刊论文
Journal of Chemical Physics, 2013, 卷号: 138, 期号: 1, 页码: 111011
Authors:  Liu S(刘舒);  Chen J(陈俊);  Zhang ZJ(张兆军);  Zhang DH(张东辉)
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Quasiclassical trajectory studies of 18O(3P) + NO2 isotope exchange and reaction to O2 + NO on D0 and D1 potentials 期刊论文
Journal of Chemical Physics, 2013, 卷号: 139, 期号: 2, 页码: 024303
Authors:  Fu BN(傅碧娜);  Zhang DH(张东辉);  Joel M. Bowman
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Communication: An accurate global potential energy surface for the OH + CO → H + CO2 reaction using neural networks 期刊论文
Journal of Chemical Physics, 2013, 卷号: 138, 页码: 2211041
Authors:  Chen J(陈俊);  Xu X(徐昕);  Zhang DH(张东辉)
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Dynamical Resonances Accessible Only by Reagent Vibrational Excitation in the F + HDYHF + D Reaction 期刊论文
Science, 2013, 卷号: 342, 页码: 1499
Authors:  Wang T(汪涛);  Chen J(陈俊);  Yang TG(杨天罡);  Xiao CL(肖春雷);  Sun ZG(孙志刚);  Huang L(黄龙);  Dai DX(戴东旭);  Yang XM(杨学明);  Zhang DH(张东辉)
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Mode specificity in the H + H2O → H2 + OH reaction: A full-dimensional quantum dynamics study 期刊论文
Journal of Chemical Physics, 2013, 卷号: 138, 期号: 18, 页码: 184308
Authors:  Fu BN(傅碧娜);  Zhang DH(张东辉)
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