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Quantum and quasiclassical dynamics of the multi-channel H + H2S reaction 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 146, 期号: 12
Authors:  Qi, Ji;  Lu, Dandan;  Song, Hongwei;  Li, Jun;  Yang, Minghui
Favorite  |  View/Download:24/0  |  Submit date:2017/11/23
Full-dimensional quantum dynamics study of the H-2 + C2H -> H + C2H2 reaction on an ab initio potential energy surface 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 144, 期号: 19
Authors:  Chen, Liuyang;  Shao, Kejie;  Chen, Jun;  Yang, Minghui;  Zhang, Dong H.
Favorite  |  View/Download:53/0  |  Submit date:2016/08/09
Mode specific dynamics of the H-2 + CH3 -> H + CH4 reaction studied using quasi-classical trajectory and eight-dimensional quantum dynamics methods 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 143, 期号: 15
Authors:  Wang, Yan;  Li, Jun;  Chen, Liuyang;  Lu, Yunpeng;  Yang, Minghui;  Guo, Hua
Favorite  |  View/Download:36/0  |  Submit date:2015/12/17
Mode specific dynamics of the H-2 + CH3 -> H + CH4 reaction studied using quasi-classical trajectory and eight-dimensional quantum dynamics methods 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 143, 期号: 15
Authors:  Wang, Yan;  Li, Jun;  Chen, Liuyang;  Lu, Yunpeng;  Yang, Minghui;  Guo, Hua
Favorite  |  View/Download:33/0  |  Submit date:2015/12/17
Highly mobile segments in crystalline poly(ethylene oxide)(8): NaPF6 electrolytes studied by solid-state NMR spectroscopy 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 140, 期号: 7
Authors:  Luo, Huan;  Liang, Xinmiao;  Wang, Liying;  Zheng, Anmin;  Liu, Chaoyang;  Feng, Jiwen
Favorite  |  View/Download:42/0  |  Submit date:2015/06/24
An eight-dimensional quantum mechanical Hamiltonian for X+YCZ(3) system and its applications to H+CH4 reaction 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2012, 卷号: 137, 期号: 17
Authors:  Liu, Rui;  Xiong, Hongwei;  Yang, Minghui
Favorite  |  View/Download:57/0  |  Submit date:2015/06/25
Atom-molecule Reactions  Excited States  Heat Of Reaction  Hydrogen Neutral Atoms  Organic Compounds  Potential Energy Surfaces  Quantum Chemistry  Reaction Rate Constants  Vibrational States  
Structures and orientations of cobalt phthalocyanine adsorbed on Sb(111) 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2012, 卷号: 136, 期号: 14
Authors:  She, Limin;  Yu, Yinghui;  Wu, Ping;  Zhang, Yun;  Qin, Zhihui;  Huang, Min;  Cao, Gengyu
Favorite  |  View/Download:53/0  |  Submit date:2015/06/25
Kinetics and dynamics of the NH3 + H -> NH2 + H-2 reaction using transition state methods, quasi-classical trajectories, and quantum-mechanical scattering 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2011, 卷号: 135, 期号: 1
Authors:  Corchado, Jose C.;  Espinosa-Garcia, Joaquin;  Yang, Minghui
Favorite  |  View/Download:62/0  |  Submit date:2015/11/30
Molecular orientations and interfacial structure of C-60 on Pt(111) 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2011, 卷号: 134, 期号: 4
Authors:  Liu, Cunding;  Qin, Zhihui;  Chen, Jian;  Guo, Qinmin;  Yu, Yinghui;  Cao, Gengyu
Favorite  |  View/Download:58/0  |  Submit date:2015/11/30
Molecular orientations and interfacial structure of C(60) on Pt(111) 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2011, 卷号: 134, 期号: 4
Authors:  Liu,CD;  Qin,ZH;  Chen,JA;  Guo,QM;  Yu,YH;  Cao,GY
Favorite  |  View/Download:28/0  |  Submit date:2015/06/25