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Six-dimensional quantum dynamics for the dissociative chemisorption of HCl on rigid Ag(111) on three potential energy surfaces with different density functionals 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 149, 期号: 17, 页码: 8
Authors:  Liu, Tianhui;  Fu, Bina;  Zhang, Dong H.
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Water dissociating on rigid Ni(100): A quantum dynamics study on a full-dimensional potential energy surface 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 148, 期号: 14
Authors:  Liu, Tianhui;  Chen, Jun;  Zhang, Zhaojun;  Shen, Xiangjian;  Fu, Bina;  Zhang, Dong H.
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An approximate full-dimensional quantum dynamics study of the mode specificity in the dissociative chemisorption of D2O on rigid Cu(111) 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 页码: 11960-11967
Authors:  Liu, Tianhui;  Fu, Bina;  Zhang, Dong H.
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HCl dissociating on a rigid Au(111) surface: A six-dimensional quantum mechanical study on a new potential energy surface based on the RPBE functional 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 146, 期号: 16
Authors:  Liu, Tianhui;  Fu, Bina;  Zhang, Dong H.
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Mode specificity of the dissociative chemisorption of HOD on rigid Cu(111): an approximate full-dimensional quantum dynamics study 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 卷号: 18, 期号: 38, 页码: 26358-26364
Authors:  Liu, Tianhui;  Zhang, Zhaojun;  Chen, Jun;  Fu, Bina;  Zhang, Dong H.
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First-principles quantum dynamical theory for the dissociative chemisorption of H2O on rigid Cu(111) 期刊论文
NATURE COMMUNICATIONS, 2016, 卷号: 7
Authors:  Zhang, Zhaojun;  Liu, Tianhui;  Fu, Bina;  Yang, Xueming;  Zhang, Dong H.
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Mode specificity for the dissociative chemisorption of H2O on Cu(111): a quantum dynamics study on an accurately fitted potential energy surface 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 卷号: 18, 期号: 12, 页码: 8537-8544
Authors:  Liu, Tianhui;  Zhang, Zhaojun;  Fu, Bina;  Yang, Xueming;  Zhang, Dong H.
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A seven-dimensional quantum dynamics study of the dissociative chemisorption of H2O on Cu(111): effects of azimuthal angles and azimuthal angle-averaging 期刊论文
CHEMICAL SCIENCE, 2016, 卷号: 7, 期号: 3, 页码: 1840-1845
Authors:  Liu, Tianhui;  Zhang, Zhaojun;  Fu, Bina;  Yang, Xueming;  Zhang, Dong H.
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Validity of the site-averaging approximation for modeling the dissociative chemisorption of H2 on Cu(111) surface: A quantum dynamics study on two potential energy surfaces 期刊论文
Journal of Chemical Physics, 2014, 卷号: 141, 期号: 19, 页码: 194302
Authors:  Liu TH(刘天辉);  Fu BN(傅碧娜);  Zhang DH(张东辉)
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Validity of the site-averaging approximation for modeling the dissociative chemisorption of H-2 on Cu(111) surface: A quantum dynamics study on two potential energy surfaces 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 141, 期号: 19
Authors:  Liu, Tianhui;  Fu, Bina;  Zhang, Dong H.
Favorite  |  View/Download:16/0  |  Submit date:2015/11/17