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Magnetism-tuning strategies for graphene oxide based on magnetic oligoacene oxide patches model 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, FEB , 卷号: 20, 期号: 5, 页码: 3678-3686
Authors:  Wen, Yanjie;  Yen, Chia-Liang;  Yan, Linyin;  Kono, Hirohiko;  Lin, Sheng-Hsien;  Ling, Yong-Chien
Favorite  |  View/Download:10/0  |  Submit date:2018/04/10
Catalytic Activities of Bis(pentamethylene)pyridyl(Fe/Co) Complex Analogues in Ethylene Polymerization by Modeling Method 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 50, 页码: 9637-9644
Authors:  Ahmed, S;  Yang, WH;  Ma, ZF;  Sun, WH
Favorite  |  View/Download:6/0  |  Submit date:2019/04/08
Elastic constants of stressed and unstressed materials in the phase-field crystal model 期刊论文
PHYSICAL REVIEW B, 2018, 卷号: 97, 期号: 14
Authors:  Wang, Zi-Le;  Huang, Zhi-Feng;  Li, Zhirong
Favorite  |  View/Download:5/0  |  Submit date:2019/04/09
Role of Polymer Segregation on the Mechanical Behavior of All Polymer Solar Cell Active Layers 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2017, 卷号: 9, 期号: 50, 页码: 43886-43892
Authors:  Balar, Nrup;  Xiong, Yuan;  Ye, Long;  Li, Sunsun;  Nevola, Daniel;  Dougherty, Daniel B.;  Hou, Jianhui;  Ade, Harald;  O'Connor, Brendan T.
Favorite  |  View/Download:4/0  |  Submit date:2019/04/09
All-polymer Solar Cell  Polymer Blend Film  Fracture Energy  Crack Onset Strain  Multilength Scale Morphology  
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  
Deep Learning Based Regression and Multiclass Models for Acute Oral Toxicity Prediction with Automatic Chemical Feature Extraction 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2017, 卷号: 57, 期号: 11, 页码: 2672-2685
Authors:  Xu, Youjun;  Pei, Jianfeng;  Lai, Luhua
Favorite  |  View/Download:4/0  |  Submit date:2019/04/09
Convergent Theoretical Prediction of Reactive Oxidant Structures in Diiron Arylamine Oxygenases AurF and Cmll: Peroxo or Hydroperoxo? 期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 139, 期号: 37, 页码: 13038-13046
Authors:  Wang, Chao;  Chen, Hui
Favorite  |  View/Download:12/0  |  Submit date:2018/06/15
Oligomeric Structure of Anabaena Sensory Rhodopsin in a Lipid Bilayer Environment by Combining Solid-State NMR and Long-range DEER Constraints 期刊论文
JOURNAL OF MOLECULAR BIOLOGY, 2017, 卷号: 429, 期号: 12, 页码: 1903-1920
Authors:  Milikisiyants, Sergey;  Wang, Shenlin;  Munro, Rachel A.;  Donohue, Matthew;  Ward, Meaghan E.;  Bolton, David;  Brown, Leonid S.;  Smirnova, Tatyana I.;  Ladizhansky, Vladimir;  Smirnov, Alex I.
Favorite  |  View/Download:9/0  |  Submit date:2018/04/11
Double Electron Electron Resonance (Deer)  Site-directed Spin Labeling  Solid-state Nmr  Paramagnetic Relaxation Enhancement  Membrane Protein Structure  
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
Favorite  |  View/Download:10/0  |  Submit date:2018/04/10
Structure-thermostability Relationship  Late Transition Metal Complex  Homogeneous Catalysis  Ethylene Polymerization  Molecular Modeling  
Molecular Barrel by a Hooping Strategy: Synthesis, Structure, and Selective CO2 Adsorption Facilitated by Lone Pair-pi Interactions 期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 139, 期号: 2, 页码: 635-638
Authors:  Wang, Qi-Qiang;  Luo, Na;  Wang, Xu-Dong;  Ao, Yu-Fei;  Chen, Yi-Fan;  Liu, Jun-Min;  Su, Cheng-Yong;  Wang, De-Xian;  Wang, Mei-Xiang
Favorite  |  View/Download:30/0  |  Submit date:2017/03/28