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An ab initio-based global potential energy surface for the SH3 system and full-dimensional state-to-state quantum dynamics study for the H-2 + HS -> H2S + H reaction 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2019, 卷号: 40, 期号: 10, 页码: 1151-1160
Authors:  Xu, Xin;  Chen, Jun;  Liu, Shu;  Zhang, Dong H.
Favorite  |  View/Download:5/0  |  Submit date:2019/06/20
potential energy surface  differential cross sections  H-2 + SH  quantum dynamics  time-dependent wave packet  
A neural network potential energy surface for the F + CH4 reaction including multiple channels based on coupled cluster theory 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 14, 页码: 9090-9100
Authors:  Chen, Jun;  Xu, Xin;  Liu, Shu;  Zhang, Dong H.
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Time-Dependent Wave Packet Dynamics Calculations of Cross Sections for Ultracold Scattering of Molecules 期刊论文
PHYSICAL REVIEW LETTERS, 2018, 卷号: 120, 期号: 14
Authors:  Huang, Jiayu;  Liu, Shu;  Zhang, Dong H.;  Krems, Roman V.
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A full-dimensional time-dependent wave packet study of the H + CO2 -> OH plus CO reaction 期刊论文
CHEMICAL PHYSICS LETTERS, 2017, 卷号: 683, 页码: 352-356
Authors:  Sun, Peng;  Chen, Jun;  Liu, Shu;  Zhang, Dong H.
Favorite  |  View/Download:25/0  |  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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Differential Cross Sections for the H+D2O -> HD+OD Reaction: a Full Dimensional State-to-State Quantum Dynamics Study 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 30, 期号: 1, 页码: 16-24
Authors:  Zhao, Zhi-qiang;  Liu, Shu;  Zhang, Dong H.
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State-to-state  Differential Cross Section  Time-dependent Wave-packet Method  
State-to-state differential cross sections for a four-atom reaction: H-2 + OH -> H2O + H in full dimensions 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 145, 期号: 13
Authors:  Zhao, Zhiqiang;  Liu, Shu;  Zhang, Dong H.
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A local mode picture for H atom reaction with vibrationally excited H2O: a full dimensional stateto-state quantum dynamics investigation 期刊论文
Chemical Science, 2016, 卷号: 7, 期号: 1, 页码: 261
Authors:  Liu S(刘舒);  Zhang DH(张东辉)
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A local mode picture for H atom reaction with vibrationally excited H2O: a full dimensional state-to-state quantum dynamics investigation 期刊论文
CHEMICAL SCIENCE, 2016, 卷号: 7, 期号: 1, 页码: 261-265
Authors:  Liu, Shu;  Zhang, Dong H.
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State-to-state Differential Cross Sections for a Four-Atom Exchange Reaction: H + D2O → D + HOD in full dimensions 会议论文
, 中国, 2015-06-02
Authors:  Liu S(刘舒);  Chen J(陈俊);  Shao KJ(邵科杰);  Zhang DH(张东辉)
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