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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:2/0  |  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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Ferromagnetic Weyl semimetal phase in a tetragonal structure 期刊论文
PHYSICAL REVIEW B, 2017, 卷号: 96, 期号: 20
Authors:  Jin, Y. J.;  Wang, R.;  Chen, Z. J.;  Zhao, J. Z.;  Zhao, Y. J.;  Xu, H.
Favorite  |  View/Download:25/0  |  Submit date:2017/12/19
Ferromagnetic Weyl semimetal phase in a tetragonal structure 期刊论文
PHYSICAL REVIEW B, 2017, 卷号: 96, 期号: 20
Authors:  Jin, Y. J.;  Wang, R.;  Chen, Z. J.;  Zhao, J. Z.;  Zhao, Y. J.;  Xu, H.
Favorite  |  View/Download:27/0  |  Submit date:2017/12/19
Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2017, 卷号: 38, 期号: 27, 页码: 2326-2334
Authors:  Chen, Jun;  Su, Neil Qiang;  Xu, Xin;  Zhang, Dong H.
Favorite  |  View/Download:22/0  |  Submit date:2017/12/19
Xyg3  Doubly Hybrid  Density Functional Theory  Potential Energy Surface  Quantum Dynamics  Rate Coefficients  
Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2017, 卷号: 38, 期号: 27, 页码: 2326-2334
Authors:  Chen, Jun;  Su, Neil Qiang;  Xu, Xin;  Zhang, Dong H.
Favorite  |  View/Download:32/0  |  Submit date:2017/12/19
Xyg3  Doubly Hybrid  Density Functional Theory  Potential Energy Surface  Quantum Dynamics  Rate Coefficients  
Recipe for generating Weyl semimetals with extended topologically protected features 期刊论文
PHYSICAL REVIEW B, 2017, 卷号: 96, 期号: 12
Authors:  Wang, R.;  Zhao, J. Z.;  Jin, Y. J.;  Xu, W. P.;  Gan, L. -Y.;  Wu, X. Z.;  Xu, H.;  Tong, S. Y.
Favorite  |  View/Download:36/0  |  Submit date:2017/12/19
Recipe for generating Weyl semimetals with extended topologically protected features 期刊论文
PHYSICAL REVIEW B, 2017, 卷号: 96, 期号: 12
Authors:  Wang, R.;  Zhao, J. Z.;  Jin, Y. J.;  Xu, W. P.;  Gan, L. -Y.;  Wu, X. Z.;  Xu, H.;  Tong, S. Y.
Favorite  |  View/Download:43/0  |  Submit date:2017/12/19
Comment on "Quasi-One-Dimensional Metal-Insulator Transitions in Compound Semiconductor Surfaces" Reply 期刊论文
PHYSICAL REVIEW LETTERS, 2017, 卷号: 118
Authors:  Zhao, J. Z.;  Fan, W.;  Verstraete, M. J.;  Zanolli, Z.;  Fan, J.;  Yang, X. B.;  Xu, H.;  Tong, S. Y.
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Mass spectrometry-based metabolomics for precision medicine 会议论文
, 海口, 2017-05-05
Authors:  Po HL(朴海龙);  Xu GW(许国旺)
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