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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
Authors:  Liu, Tianhui;  Fu, Bina;  Zhang, Dong H.;  Fu BN(傅碧娜);  Zhang DH(张东辉)
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Six-dimensional potential energy surface of the dissociative chemisorption of HCl on Au(111) using neural networks 期刊论文
SCIENCE CHINA-CHEMISTRY, 2014, 卷号: 57, 期号: 1, 页码: 147-155
Authors:  Liu TianHui;  Fu BiNa;  Zhang Dong H;  Zhang DH(张东辉)
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Potential Energy Surface  Dft Calculations  Neural Networks  Wave Packet  Six-dimensional  
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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Strong Photon Energy Dependence of the Photocatalytic Dissociation Rate of Methanol on TiO2(110) 期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2013, 卷号: 135, 期号: 50, 页码: 19039-19045
Authors:  Xu, Chengbiao;  Yang, Wenshao;  Ren, Zefeng;  Dai, Dongxu;  Guo, Qing;  Minton, Timothy K.;  Yang, Xueming;  Guo Q(郭庆);  Timothy K. Minton;  Yang XM(杨学明)
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Suppression of Photoinduced BBO Defects Generation on TiO2(110) by Water 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2013, 卷号: 26, 期号: 6, 页码: 646-650
Authors:  Xu, Chen-biao;  Yang, Wen-shao;  Guo, Qing;  Dai, Dong-xu;  Chen, Mao-du;  Yang, Xue-ming;  Guo Q(郭庆);  Yang XM(杨学明)
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Temperature Programmed Desorption  Time Of Flight Spectrum  Photo-stimulated Desorption  Oxygen Vacancy  
Band-Gap States of TiO2(110): Major Contribution from Surface Defects 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2013, 卷号: 4, 期号: 22, 页码: 3839-3844
Authors:  Mao, Xinchun;  Lang, Xiufeng;  Wang, Zhiqiang;  Hao, Qunqing;  Wen, Bo;  Ren, Zefeng;  Dai, Dongxu;  Zhou, Chuanyao;  Liu, Li-Min;  Yang, Xueming;  Zhou CY(周传耀);  Liu LM(刘利民);  Yang XM(杨学明)
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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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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  
Theoretical study on the mechanism for NH3BH3 reduction of ketones and imines 期刊论文
MOLECULAR PHYSICS, 2013, 卷号: 111, 期号: 20, 页码: 3014-3024
Authors:  Wang, Xu;  Yao, Wei;  Zhou, Danhong;  Fan, Hongjun;  Zhou DH(周丹红);  Fan HJ(樊红军)
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Reaction Mechanism  Ammonia Borane  Hydrogenation  Ketone  Amine  
A Chiral Bisthiourea as a Chiral Solvating Agent for Carboxylic Acids in the Presence of DMAP 期刊论文
JOURNAL OF ORGANIC CHEMISTRY, 2013, 卷号: 78, 期号: 18, 页码: 9137-9142
Authors:  Bian, Guangling;  Fan, Hongjun;  Yang, Shiwei;  Yue, Huifeng;  Huang, Huayin;  Zong, Hua;  Song, Ling;  Ling Song
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