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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  
Probing Quantum Dynamics of Elementary Chemical Reactions via Accurate Potential Energy Surfaces 期刊论文
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS, 2013, 卷号: 227, 期号: 9-11, 页码: 1247-1265
Authors:  Yang, Xueming;  Zhang, Dong Hui;  Yang XM(杨学明);  Zhang DH(张东辉)
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Potential Energy Surface  Reaction Dynamics  Elementary Chemical Reaction  Transition State  
The investigation of nonadiabatic effects for the N+ND -> N-2+D reaction 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2012, 卷号: 112, 期号: 15, 页码: 2710-2714
Authors:  Zhang, Ai-Jie;  He, Guo-Zhong
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Nonadiabatic Quantum Dynamics  Potential Energy Surfaces  Time-dependent Wavepacket  Nonadiabatic Transition  
Force reversed method for locating transition states 期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2012, 卷号: 131, 期号: 2, 页码: 11181
Authors:  Sun, Keju;  Zhao, Yonghui;  Su, Hai-Yan;  Li, Wei-Xue;  Li WX(李微雪)
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Potential Energy Surface  Force Reversed Method  Locating Transition States  
Theoretical Study of C-alpha-H Hydroxylation of 4-Chloro-N-cyclopropyl-N-isopropylaniline Catalyzed by Cytochrome P450 期刊论文
CHINESE JOURNAL OF CATALYSIS, 2011, 卷号: 32, 期号: 7, 页码: 1208-1213
Authors:  Li Dongmei;  Liu Jianyong
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Density Functional Theory  Transition State  Hydrogen Atom Transfer  Energy Barrier  Reaction Rate  Reaction Mechanism  
Crystal Structure, Phase Transition, and Thermodynamic Properties of Bis-dodecylammonium Tetrachlorozincate (C12H25NH3)(2)ZnCl4(s) 期刊论文
CHINESE JOURNAL OF CHEMISTRY, 2010, 卷号: 28, 期号: 4, 页码: 521-530
Authors:  Kong Yuxia;  Di Youying;  Yang Weiwei;  Lue Yinfeng;  Tan Zhicheng
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(C12h25nh3)(2)Zncl4  X-ray Crystallography  Lattice Energy  Thermodynamics  Low-temperature Heat Capacity  Phase Transition  
Theoretical investigation of the direct observation of anharmonic coupling in CDCl3 in the time domain with femtosecond stimulated Raman scattering 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2009, 卷号: 130, 期号: 4, 页码: 044312-044312
Authors:  Sun, Zhigang;  Fu, Bina;  Zhang, Dong H.;  Lee, Soo-Y.;  Li SR(李仕仁)
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Ab Initio Calculations  Ground States  Molecular Configurations  Molecular Moments  Molecule-photon Collisions  Optical Pumping  Organic Compounds  Potential Energy Surfaces  Stimulated Raman Scattering  Transition Moments  Vibrational States  
Electronic structures and spectroscopic properties of rhenium (I) tricarbonyl photosensitizer: [Re(4,4 '-(COOEt)(2)-2,2 '-bpy)(CO)(3)py]PF6 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2009, 卷号: 71, 期号: 5, 页码: 2016-2022
Authors:  Gao, Yunling;  Sun, Shiguo;  Han, Keli
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Rhenium Tricarbonyl Complex  Density Functional Theory (Dft)  Time-dependent Density Functional Theory (Td-dft)  Transition Energy  
Theoretical study of the mechanism for spin-forbidden quenching process O(D-1)+CO2((1)Sigma(+)(g))-> O(P-3)+CO2((1)Sigma(+)(g)) 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2005, 卷号: 105, 期号: 2, 页码: 154-159
Authors:  Yang, GH;  Yao, L;  Zhang, X;  Meng, QT;  Han, KL
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Spin-orbit Coupling  Transition State  Nonadiabatic Process  Energy Transfer  
Quantum interference induced from the Lambda split of Pi state diatom 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2004, 卷号: 17, 期号: 4, 页码: 395-400
Authors:  Li, YQ;  Sun, MT;  Ma, FC
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Collision-induced Rotational Energy Transfer  Quantum Interference  Cross Section Of Energy Transfer  Transition Probability