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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
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CH stretching excitation promotes its cleavage in the F + CHD3(nu(1)=1) -> HF + CD3 reaction at low collision energies 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 页码: 13070-13074
Authors:  Zhang, Dong;  Yang, Jiayue;  Chen, Zhen;  Chen, Rongjun;  Jiang, Bo;  Dai, Dongxu;  Wu, Guorong;  Zhang, Donghui;  Yang, Xueming
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A review of dynamical resonances in A plus BC chemical reactions 期刊论文
REPORTS ON PROGRESS IN PHYSICS, 2017, 卷号: 80, 期号: 2
Authors:  Ren, Zefeng;  Sun, Zhigang;  Zhang, Donghui;  Yang, Xueming
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Transition State  Reactive Resonance  Feshbach Resonance  Shape Resonance  Potential Energy Surface  Crossed Beam Scattering  Quantum Wave-packet Method  
A review of dynamical resonances in A??+??BC chemical reactions 期刊论文
Reports on Progress in Physics, 2016, 卷号: 80, 期号: 2
Authors:  Ren,Zefeng;  Sun,Zhigang;  Zhang,Donghui;  Yang,Xueming
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transition state  reactive resonance  Feshbach resonance  shape resonance  potential energy surface  crossed beam scattering  quantum wave-packet method  
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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