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Theoretical Investigations of Rate Coefficients of H + H2O2 -> OH + H2O on a Full-Dimensional Potential Energy Surface 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 18, 页码: 3969-3976
Authors:  Lu, Xiaoxiao;  Wang, Xingan;  Fu, Bina;  Zhang, Donghui
Favorite  |  View/Download:6/0  |  Submit date:2019/06/25
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  
Rapid discrimination between red and white ginseng based on unique mass-spectrometric features 期刊论文
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 2019, 卷号: 164, 页码: 202-210
Authors:  Zhao, Qiang;  Zhao, Nan;  Ye, Xueting;  He, Meixi;  Yang, Yiren;  Gao, Huiyuan;  Zhang, Xiaozhe
Favorite  |  View/Download:4/0  |  Submit date:2019/06/20
UHPLC-Q-TOF-MS  Red ginseng  Robust biomarker  Nitrogen-containing compound  Support vector machine  Artificial neural network  
Ring-polymer molecular dynamics study on rate coefficient of the barrierless OH plus CO system at low temperature 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 150, 期号: 4, 页码: 6
Authors:  Meng, Qingyong;  Chen, Jun
Favorite  |  View/Download:10/0  |  Submit date:2019/06/20
A new potential energy surface of the LiHO+ system and the dynamics studies of the O + LiH+ reaction 期刊论文
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 715, 页码: 123-128
Authors:  He, Di;  Zhang, Tianqi;  Yuan, Jiuchuan;  Wang, Meishan
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Potential energy surface  Quasi-classical trajectory method  Reaction dynamics  Differential cross section  Integral reaction cross section  
Deep Direction-Context-Inspiration Network for Defocus Region Detection in Natural Images 期刊论文
IEEE ACCESS, 2019, 卷号: 7, 页码: 64737-64743
Authors:  Zhao, Fan;  Wang, Haipeng;  Zhao, Wenda
Favorite  |  View/Download:0/0  |  Submit date:2019/07/26
Defocus region detection  direction-context-inspiration network  level-integration  
New diabatic potential energy surfaces of the NaH2 system and dynamics studies for the Na(3p) + H-2 -> NaH plus H reaction 期刊论文
SCIENTIFIC REPORTS, 2018, 卷号: 8, 页码: 11
Authors:  Wang, Shufen;  Yang, Zijiang;  Yuan, Jiuchuang;  Chen, Maodu
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Rate coefficients of the H + H2O2 -> H-2 + HO2 reaction on an accurate fundamental invariant-neural network potential energy surface 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 149, 期号: 17, 页码: 7
Authors:  Lu, Xiaoxiao;  Meng, Qingyong;  Wang, Xingan;  Fu, Bina;  Zhang, Dong H.
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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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An accurate full-dimensional potential energy surface and quasiclassical trajectory dynamics of the H + H2O2 two-channel reaction 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 35, 页码: 23095-23105
Authors:  Lu, Xiaoxiao;  Shao, Kejie;  Fu, Bina;  Wang, Xingan;  Zhang, Dong H.
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20