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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.
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20
Computing energy levels of CH4, CHD3, CH3D, and CH3F with a direct product basis and coordinates based on the methyl subsystem 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 148, 期号: 7
Authors:  Zhao, Zhiqiang;  Chen, Jun;  Zhang, Zhaojun;  Zhang, Dong H.;  Wang, Xiao-Gang;  Carrington, Tucker, Jr.;  Gatti, Fabien
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Methane dissociation on Ni(111): A seven-dimensional to nine-dimensional quantum dynamics study 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 147, 期号: 2
Authors:  Shen, Xiangjian;  Zhang, Zhaojun;  Zhang, Dong H.
Favorite  |  View/Download:28/0  |  Submit date:2017/10/29
Dynamical barrier and isotope effects in the simplest substitution reaction via Walden inversion mechanism 期刊论文
NATURE COMMUNICATIONS, 2017, 卷号: 8
Authors:  Zhao, Zhiqiang;  Zhang, Zhaojun;  Liu, Shu;  Zhang, Dong H.
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Full-dimensional vibrational calculations of five-atom molecules using a combination of Radau and Jacobi coordinates: Applications to methane and fluoromethane 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 144, 期号: 0, 页码: 2043021
Authors:  Zhao ZQ(赵志强);  Chen J(陈俊);  Zhang ZJ(张兆军);  Zhang DH(张东辉);  David Lauvergnat;  Fabien Gatti
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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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Eight-Dimensional Quantum Dynamics Study of CH4 and CD4 Dissociation on Ni(100) Surface 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2016, 卷号: 120, 期号: 36, 页码: 20199-20205
Authors:  Shen, Xiangjian;  Zhang, Zhaojun;  Zhang, Dong H.
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Communication: Methane dissociation on Ni(111) surface: Importance of azimuth and surface impact site 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 144, 期号: 10, 页码: 1011011
Authors:  Shen XJ(沈祥建);  Zhang ZJ(张兆军);  Zhang DH(张东辉)
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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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Time-Dependent Wave Packet Study of the H2 + CH3 → H + CH4 Reaction 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2016, 卷号: 119, 期号: 50, 页码: 12480
Authors:  Zhang ZJ(张兆军);  Chen J(陈俊);  Yang MH(杨明晖);  Zhang DH(张东辉)
Favorite  |  View/Download:20/0  |  Submit date:2016/11/24