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Full-dimensional vibrational calculations of five-atom molecules using a combination of Radau and Jacobi coordinates: Applications to methane and fluoromethane 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 144, 期号: 0, 页码: 2043021
Authors:  Zhao ZQ(赵志强);  Chen J(陈俊);  Zhang ZJ(张兆军);  Zhang DH(张东辉);  David Lauvergnat;  Fabien Gatti
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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)
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基于新一代密度泛函和神经网络势能面的量子反应动力学计算 期刊论文
Acta Physico-Chimica Sinica物理化学学报, 2016, 卷号: 32, 期号: 1, 页码: 119
Authors:  苏乃强;  陈俊;  徐昕;  张东辉
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基于神经网络的分子体系势能面构造 期刊论文
Scientia Sinica Chimica中国科学:化学, 2016, 卷号: 45, 期号: 12, 页码: 1241
Authors:  陈俊;  张东辉
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Communication: Methane dissociation on Ni(111) surface: Importance of azimuth and surface impact site 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 144, 期号: 10, 页码: 1011011
Authors:  Shen XJ(沈祥建);  Zhang ZJ(张兆军);  Zhang DH(张东辉)
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Time-Dependent Wave Packet Study of the H2 + CH3 → H + CH4 Reaction 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2016, 卷号: 119, 期号: 50, 页码: 12480
Authors:  Zhang ZJ(张兆军);  Chen J(陈俊);  Yang MH(杨明晖);  Zhang DH(张东辉)
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Effect of Reagent Vibrational Excitation on the Dynamics of F + H2(v = 1, j = 0) → HF(v′, j′) + H Reaction 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2016, 卷号: 119, 期号: 50, 页码: 12284
Authors:  杨天罡;  黄龙;  汪涛;  肖春雷;  谢雨润;  孙志刚;  戴东旭;  陈茂笃;  张东辉;  杨学明
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A local mode picture for H atom reaction with vibrationally excited H2O: a full dimensional stateto-state quantum dynamics investigation 期刊论文
Chemical Science, 2016, 卷号: 7, 期号: 1, 页码: 261
Authors:  Liu S(刘舒);  Zhang DH(张东辉)
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Effect of CH stretching excitation on the reaction dynamics of F + CHD3 → DF + CHD2 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 143, 期号: 4, 页码: 0443161
Authors:  Yang JY(杨家岳);  Zhang D(张冬);  Chen Z(陈震);  Florian Blauert;  Jiang B(姜波);  Dai DX(戴东旭);  Wu GR(吴国荣);  Zhang DH(张东辉);  Yang XM(杨学明)
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Effect of Reagent Rotational Excitation on Dynamics of F+H2→HF+H+ 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS化学物理学报, 2015, 卷号: 28, 期号: 4, 页码: 471
Authors:  Yang TG(杨天罡);  Huang L(黄龙);  Xie YR(谢雨润);  Wang T(汪涛);  Xiao CL(肖春雷);  Sun ZG(孙志刚);  Dai DX(戴东旭);  Chen MD(陈茂笃);  Zhang DH(张东辉);  Yang XM(杨学明)
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