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Two-state diabatic potential energy surfaces of ClH2 based on nonadiabatic couplings with neural networks 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 36, 页码: 20372-20383
Authors:  Yin, Zhengxi;  Guan, Yafu;  Fu, Bina;  Zhang, Dong H.
Favorite  |  View/Download:5/0  |  Submit date:2019/12/02
Enhanced reactivity of fluorine with para-hydrogen in cold interstellar clouds by resonance-induced quantum tunnelling 期刊论文
NATURE CHEMISTRY, 2019, 卷号: 11, 期号: 8, 页码: 744-749
Authors:  Yang, Tiangang;  Huang, Long;  Xiao, Chunlei;  Chen, Jun;  Wang, Tao;  Dai, Dongxu;  Lique, Francois;  Alexander, Millard H.;  Sun, Zhigang;  Zhang, Dong H.;  Yang, Xueming;  Neumark, Daniel M.
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Representation of coupled adiabatic potential energy surfaces using neural network based quasi-diabatic Hamiltonians: 1,2 (2)A ' states of LiFH 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 26, 页码: 14205-14213
Authors:  Guan, Yafu;  Zhang, Dong H.;  Guo, Hua;  Yarkony, David R.
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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
Authors:  Zhang, Zhaojun;  Gatti, Fabien;  Zhang, Dong H.
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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:8/0  |  Submit date:2019/06/20
potential energy surface  differential cross sections  H-2 + SH  quantum dynamics  time-dependent wave packet  
Mosquito's Compound Eyes as Inspiration for Fabrication of Conductive Superhydrophobic Nanocarbon Materials from Waste Wheat Straw 期刊论文
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2019, 卷号: 7, 期号: 4, 页码: 3883-3894
Authors:  Wang, Yanbin;  Zhang, Dong;  Deng, June;  Zhou, Feng;  Duan, Zhiying;  Su, Qiong;  Pang, Shaofeng
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Biomimetic  Wheat straw  Controllable construction  Superhydrophobicity  Conductivity  Nanocarbon materials  
Observation of the geometric phase effect in the H plus HD -> H-2 + D reaction 期刊论文
SCIENCE, 2018, 卷号: 362, 期号: 6420, 页码: 1289-+
Authors:  Yuan, Daofu;  Guan, Yafu;  Chen, Wentao;  Zhao, Hailin;  Yu, Shengrui;  Luo, Chang;  Tan, Yuxin;  Xie, Ting;  Wang, Xingan;  Sun, Zhigang;  Zhang, Dong H.;  Yang, Xueming
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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.
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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.
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20