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CORC

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Full dimensional quantum mechanical calculations of the reaction probability of the H + NH3 collision based on a mixed Jacobi and Radau description 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 150, 期号: 20, 页码: 9
作者:  Zhang, Zhaojun;  Gatti, Fabien;  Zhang, Dong H.
收藏  |  浏览/下载：43/0  |  提交时间：2019/12/02
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
作者:  Zhang, Zhaojun;  Zhang, Dong H.;  Fu, Bina;  Liu, Tianhui;  Chen, Jun
收藏  |  浏览/下载：22/0  |  提交时间：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
作者:  Zhao, Zhiqiang;  Chen, Jun;  Zhang, Zhaojun;  Zhang, Dong H.;  Wang, Xiao-Gang
收藏  |  浏览/下载：25/0  |  提交时间：2019/06/20
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
作者:  Shen, Xiangjian;  Zhang, Zhaojun;  Zhang, Dong H.
收藏  |  浏览/下载：14/0  |  提交时间：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
作者:  Zhao, Zhiqiang;  Zhang, Zhaojun;  Liu, Shu;  Zhang, Dong H.
收藏  |  浏览/下载：17/0  |  提交时间：2019/06/20
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
作者:  Zhang, Dong H.;  Liu, Tianhui;  Zhang, Zhaojun;  Chen, Jun;  Fu, Bina
收藏  |  浏览/下载：21/0  |  提交时间：2019/06/20
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
作者:  Zhang, Dong H.;  Shen, Xiangjian;  Zhang, Zhaojun
收藏  |  浏览/下载：12/0  |  提交时间：2019/06/20
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
作者:  Zhang, Zhaojun;  Liu, Tianhui;  Fu, Bina;  Yang, Xueming;  Zhang, Dong H.
收藏  |  浏览/下载：11/0  |  提交时间：2019/06/20
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
作者:  Liu, Tianhui;  Zhang, Zhaojun;  Fu, Bina;  Yang, Xueming;  Zhang, Dong H.
收藏  |  浏览/下载：16/0  |  提交时间：2019/06/20
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
作者:  Liu, Tianhui;  Zhang, Zhaojun;  Fu, Bina;  Yang, Xueming;  Zhang, Dong H.
收藏  |  浏览/下载：12/0  |  提交时间：2019/06/20

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