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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
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.
Favorite  |  View/Download:5/0  |  Submit date:2019/06/20
Ring-Polymer Molecular Dynamics with Coarse-Grained Treatment of the Rate Coefficients of Chlorine Atom Reactions with Methane, Ethane, and Propane 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 42, 页码: 8320-8325
Authors:  Meng, Qingyong
Favorite  |  View/Download:1/0  |  Submit date:2019/06/20
Lattice effects of surface cell: Multilayer multiconfiguration time-dependent Hartree study on surface scattering of CO/Cu(100) 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 146
Authors:  Meng, Qingyong;  Meyer, Hans-Dieter
Favorite  |  View/Download:14/0  |  Submit date:2017/10/29
Ring-polymer molecular dynamics studies on the rate coefficient of the abstraction channel of hydrogen plus ethane, propane, and dimethyl ether 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 146, 期号: 2
Authors:  Meng, Qingyong;  Chen, Jun
Favorite  |  View/Download:1/0  |  Submit date:2019/06/20
Theoretical and experimental investigations of rate coefficients of O(D-1) + CH4 at low temperature 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 卷号: 18, 期号: 42, 页码: 29286-29292
Authors:  Meng, Qingyong;  Hickson, Kevin M.;  Shao, Kejie;  Loisonc, Jean-Christophe;  Zhang, Dong H.
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Ring polymer molecular dynamics fast computation of rate coefficients on accurate potential energy surfaces in local configuration space: Application to the abstraction of hydrogen from methane 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 144, 期号: 15, 页码: 1543121
Authors:  Meng QY(孟庆勇);  Chen J(陈俊);  Zhang DH(张东辉)
Favorite  |  View/Download:31/0  |  Submit date:2016/11/24
Communication: Rate coefficients of the H + CH4 → H2 + CH3 reaction from ring polymer molecular dynamics on a highly accurate potential energy surface 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 143, 期号: 10, 页码: 1011021
Authors:  Meng QY(孟庆勇);  Chen J(陈俊);  Zhang DH(张东辉)
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Expansion Hamiltonian model for a diatomic molecule adsorbed on a surface: Vibrational states of the CO/Cu(100) system including surface vibrations 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 143, 期号: 16, 页码: 1643101
Authors:  Meng QY(孟庆勇);  Hans-Dieter Meyer
Favorite  |  View/Download:18/0  |  Submit date:2016/11/24
Communication: Rate coefficients of the H + CH4 -> H-2 + CH3 reaction from ring polymer molecular dynamics on a highly accurate potential energy surface 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 143, 期号: 10
Authors:  Meng, Qingyong;  Chen, Jun;  Zhang, Dong H.
Favorite  |  View/Download:65/0  |  Submit date:2015/11/17