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中国科学院大连化学物理研究所机构知识库
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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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View/Download:6/0
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Submit date:2019/06/25
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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View/Download:74/0
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Submit date:2017/10/29
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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View/Download:28/0
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Submit date:2017/10/29
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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View/Download:4/0
  |  
Submit date:2019/06/20
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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View/Download:32/0
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Submit date:2016/11/24
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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View/Download:32/0
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Submit date:2016/11/24
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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View/Download:28/0
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Submit date:2016/11/24
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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View/Download:43/0
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Submit date:2016/11/24
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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View/Download:28/0
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Submit date:2016/11/24
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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View/Download:20/0
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Submit date:2016/11/24