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Dynamic Excited-State Intramolecular Proton Transfer Mechanisms of Two Novel 3-Hydroxyflavone-Based Chromophores in Two Different Surroundings 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 18, 页码: 3937-3948
Authors:  Hao, Jiaojiao;  Yang, Yang
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In Situ DRIFTS Study of Homologous Reaction of Methanol and Higher Alcohols Synthesis over Mn Promoted Cu-Fe Catalysts 期刊论文
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2019, 卷号: 58, 期号: 16, 页码: 6288-6297
Authors:  Qian, Weixin;  Wang, Hao;  Xu, Yanbo;  Yang, Xiaoli;  Zhai, Guangwei;  Zhang, Haitao;  Ma, Hongfang;  Sun, Qiwen;  Ying, Weiyong
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Dynamics studies of O+ + H-2 -> OH+ + H reaction 期刊论文
ACTA PHYSICA SINICA, 2019, 卷号: 68, 期号: 8, 页码: 7
Authors:  Yuan Mei-Ling;  Li Wen-Tao
Favorite  |  View/Download:5/0  |  Submit date:2019/06/20
OH2+ system  reaction probability  integral cross section  differential cross section  
Water dissociating on rigid Ni(100): A quantum dynamics study on a full-dimensional potential energy surface 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 148, 期号: 14
Authors:  Liu, Tianhui;  Chen, Jun;  Zhang, Zhaojun;  Shen, Xiangjian;  Fu, Bina;  Zhang, Dong H.
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An Exact Propagator for Solving the Triatomic Reactive Schrodinger Equation 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 30, 期号: 6, 页码: 761-770
Authors:  Li, Xue-ming;  Sun, Zhi-gang
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Time-dependent Wavepacket Method  Spectral Difference  Spectrally Transformed Hamiltonian  Exact Short Time Propagator  Reactive Scattering  
A full-dimensional time-dependent wave packet study of the H + CO2 -> OH plus CO reaction 期刊论文
CHEMICAL PHYSICS LETTERS, 2017, 卷号: 683, 页码: 352-356
Authors:  Sun, Peng;  Chen, Jun;  Liu, Shu;  Zhang, Dong H.
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Effect of reagent vibrational excitation on reaction of H + CH+ -> C+ + H-2 期刊论文
ACTA PHYSICA SINICA, 2017, 卷号: 66
Authors:  Tang Xiao-Ping;  He Xiao-Hu;  Zhou Can-Hua;  Yang Yang
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Molecular Reaction Dynamics  Quasi-classical Trajectory Method  Vector Correlation  
Isotopic Effects on Stereodynamics of the C+ + H-2 -> CH+ + H Reaction 期刊论文
COMMUNICATIONS IN THEORETICAL PHYSICS, 2017, 卷号: 67, 页码: 549-553
Authors:  Guo, Lu;  Yang, Yun-Fan;  Fan, Xiao-Xing;  Ma, Feng-Cai;  Li, Yong-Qing
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Isotope Effect  Quasi Classical Trajectory  Vector Correlation  Stereodynamic  Ground State Ch2++ Potential Energy Surface  
HCl dissociating on a rigid Au(111) surface: A six-dimensional quantum mechanical study on a new potential energy surface based on the RPBE functional 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 146, 期号: 16
Authors:  Liu, Tianhui;  Fu, Bina;  Zhang, Dong H.
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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
Favorite  |  View/Download:25/0  |  Submit date:2017/10/29
Transition State  Reactive Resonance  Feshbach Resonance  Shape Resonance  Potential Energy Surface  Crossed Beam Scattering  Quantum Wave-packet Method