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2D-QSAR modeling on the catalytic activities of 2-azacyclyl-6-aryliminopyridylmetal precatalysts in ethylene oligomerization 期刊论文
CATALYSIS COMMUNICATIONS, 2017, 卷号: 101, 页码: 40-43
Authors:  Yang, Wenhong;  Yi, Jun;  Ma, Zhifeng;  Sun, Wen-Hua
Favorite  |  View/Download:13/0  |  Submit date:2018/07/02
2d-qsar Modeling  Catalytic Activity  Transition Metal Complex  Ethylene Oligomerization  Molecular Design  
Quantitative Structure-Thermostability Relationship of Late Transition Metal Catalysts in Ethylene Oligo/Polymerization 期刊论文
CATALYSTS, 2017, 卷号: 7, 期号: 4
Authors:  Yang, Wenhong;  Ma, Zhifeng;  Yi, Jun;  Sun, Wen-Hua
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Structure-thermostability Relationship  Late Transition Metal Complex  Homogeneous Catalysis  Ethylene Polymerization  Molecular Modeling  
New insight into photochemical oxidation of Fe(II): The roles of Fe(III) and reactive oxygen species 期刊论文
CATALYSIS TODAY, 2014, 卷号: 224, 页码: 244-250
Authors:  Wang, Zhaohui;  Liu, Jianshe
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Environmental Photochemistry  Kinetic Modeling  Electron Spin Resonance  Photosensitization  
Synthesis of Cyclotriveratrylene-Phenylacetylene Derivatives and a Photophysical Investigation of Rigid Conjugated Cyclotriveratrylene Dendrimers 期刊论文
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, 2012, 期号: 35, 页码: 6895-6903
Authors:  Han, Xiao-Na;  Chen, Jian-Ming;  Huang, Zhi-Tang;  Zheng, Qi-Yu
Favorite  |  View/Download:2/0  |  Submit date:2019/04/09
Dendrimers  Macrocycles  Cross-coupling  Molecular Modeling  
Design and Synthesis of Piezochromic Materials Based on Push-Pull Chromophores: A Mechanistic Perspective 期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2012, 卷号: 18, 期号: 15, 页码: 4558-4567
Authors:  Chen, Fengkun;  Zhang, Jie;  Wan, Xinhua
Favorite  |  View/Download:4/0  |  Submit date:2019/04/09
Charge Transfer  Chromophores  Donor-acceptor Systems  Molecular Modeling  Piezochromic  
Study of STAT3 G-quadruplex folding patterns by CD spectroscopy and molecular modeling 期刊论文
CHINESE CHEMICAL LETTERS, 2012, 卷号: 23, 期号: 3, 页码: 329-331
Authors:  Lin, Sen;  Xu, Ming;  Yuan, Gu
Favorite  |  View/Download:2/0  |  Submit date:2019/04/09
G-quadruplex  Stat3 Gene  Cd Spectroscopy  Molecular Modeling  
Three-Dimensional Structure of Dopamine 3-Subtype Receptor with the Active Site Residues for the Binding of Dopamine 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2011, 卷号: 27, 期号: 10, 页码: 2432-2446
Authors:  Jin Yi;  Wang Yue;  Bian Fu-Yong;  Shi Qiang;  Ge Mao-Fa;  Wang Shu;  Zhang Xing-Kang;  Xu Si-Chuan
Favorite  |  View/Download:3/0  |  Submit date:2019/04/09
Ab Initio  Dopamine 3-subtype Receptor  3pbl  Active Site  Molecular Dynamics Simulation  Homology Modeling  
From Atomic to Molecular Anions: A Neutral Receptor Captures Cyanide Using Strong C-H Hydrogen Bonds 期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2011, 卷号: 17, 期号: 33, 页码: 9123-9129
Authors:  Ramabhadran, Raghunath O.;  Hua, Yuran;  Li, Yong-jun;  Flood, Amar H.;  Raghavachari, Krishnan
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Anions  Cyanide Binding  Macrocycles  Molecular Modeling  Receptors  
Dependence of critical condition in liquid chromatography on the pore size of column substrates 期刊论文
POLYMER, 2011, 卷号: 52, 期号: 14, 页码: 3219-3225
Authors:  Zhu, Yutian;  Ziebarth, Jesse D.;  Wang, Yongmei
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Critical Condition Of Liquid Chromatography  Critical Adsorption Point  Polymer Modeling  
Tuning Mesomorphic Properties and Handedness of Chiral Calamitic Liquid Crystals by Minimal Modification of the Effective Core 期刊论文
CHIRALITY, 2011, 卷号: 23, 期号: 1E, 页码: E74-E83
Authors:  Liu, Anhua;  Sun, Qiming;  Cui, Jiaxi;  Zheng, Jia;  Liu, Wenjian;  Wan, Xinhua
Favorite  |  View/Download:3/0  |  Submit date:2019/04/09
Cholesteric Phase  C*TC*wC*iC*sC*tC* C*GC*rC*aC*iC*nC* C*BC*oC*uC*nC*dC*aC*rC*yC* C*C**C* C*pC*hC*aC*sC*eC*  Handedness  Rotational Isomer  Molecular Modeling