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Phase Inversion: A Universal Method to Create High-Performance Porous Electrodes for Nanoparticle-Based Energy Storage Devices 期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2016, 卷号: 26, 期号: 46, 页码: 8427-8434
Authors:  Yang, Xiaofei;  Chen, Yuqing;  Wang, Meiri;  Zhang, Hongzhang;  Li, Xianfeng;  Zhang, Huamin
Favorite  |  View/Download:26/0  |  Submit date:2017/10/29
Free energy profiles of cocaine esterase-cocaine binding process by molecular dynamics and potential of mean force simulations 期刊论文
CHEMICO-BIOLOGICAL INTERACTIONS, 2016, 卷号: 259, 页码: 142-147
Authors:  Zhang, Yuxin;  Huang, Xiaoqin;  Han, Keli;  Zheng, Fang;  Zhan, Chang-Guo
Favorite  |  View/Download:16/0  |  Submit date:2017/10/29
Esterase  Cocaine  Binding Process  Energy Barrier  
Multiscale Simulations on Spectral Tuning and the Photoisomerization Mechanism in Fluorescent RNA Spinach 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016, 卷号: 12, 期号: 11, 页码: 5453-5464
Authors:  Li, Xin;  Chung, Lung Wa;  Li, Guohui
Favorite  |  View/Download:0/0  |  Submit date:2019/06/20
CO2 Hydrogenation over Oxide-Supported PtCo Catalysts: The Role of the Oxide Support in Determining the Product Selectivity 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2016, 卷号: 55, 期号: 28, 页码: 7968-7973
Authors:  Kattel, Shyam;  Yu, Weiting;  Yang, Xiaofang;  Yan, Binhang;  Huang, Yanqiang;  Wan, Weiming;  Liu, Ping;  Chen, Jingguang G.
Favorite  |  View/Download:0/0  |  Submit date:2019/06/20
Bimetallic Catalysts  Carbon Dioxide  Heterogeneous Catalysis  Hydrogenation  Supported Catalysts  
Excited-state hydrogen bond strengthening of coumarin 153 in ethanol solvent: a TDDFT study 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2016, 卷号: 29, 期号: 6, 页码: 305-311
Authors:  Xu, Jinmei;  Chen, Junsheng;  Dong, Shunle;  Fu, Aiping;  Li, Hongliang;  Chu, Tianshu
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20
Coumarin C153  Ethanol Solvent  Excited State  Hydrogen Bond  Time-dependent Density Functional Theory  
Methyllithium-Doped Naphthyl-Containing Conjugated Microporous Polymer with Enhanced Hydrogen Storage Performance 期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2016, 卷号: 22, 期号: 23, 页码: 7944-7949
Authors:  Xu, Dan;  Sun, Lei;  Li, Gang;  Shang, Jin;  Yang, Rui-Xia;  Deng, Wei-Qiao
Favorite  |  View/Download:0/0  |  Submit date:2019/06/20
Doping  Hydrogen  Microporous Materials  Polymers  Quantum Chemistry  
The role of MgO in the performance of Pd/SiO2/cordierite monolith catalyst for the hydrogenation of 2-ethyl-anthraquinone 期刊论文
APPLIED CATALYSIS A-GENERAL, 2016, 卷号: 517, 页码: 168-175
Authors:  Li, Xiaotong;  Su, Hongjiu;  Ren, Gaoyuan;  Wang, Shudong
Favorite  |  View/Download:4/0  |  Submit date:2019/06/20
Monolith  Pd Dispersion  Anthraquinone Hydrogenation  Mgo  Alkalinity  
Design, synthesis and biological evaluation of bisabolangelone oxime derivatives as potassium-competitive acid blockers (P-CABs) 期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2016, 卷号: 26, 期号: 9, 页码: 2268-2272
Authors:  Huang, Nian-Yu;  Wang, Wen-Bin;  Chen, Lei;  Luo, Hua-Jun;  Wang, Jun-Zhi;  Deng, Wei-Qiao;  Zou, Kun
Favorite  |  View/Download:7/0  |  Submit date:2019/06/20
P-cabs  Bisabolangelone  Drug Rational Design  Synthesis  H++  k+-atpase Inhibitory Activities  
Computational insights into the interaction mechanism of triazolyl substituted tetrahydrobenzofuran derivatives with H+,K+-ATPase at different pH 期刊论文
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2016, 卷号: 30, 期号: 1, 页码: 27-37
Authors:  Luo, Hua-Jun;  Wang, Jun-Zhi;  Huang, Nian-Yu;  Deng, Wei-Qiao;  Zou, Kun
Favorite  |  View/Download:4/0  |  Submit date:2019/06/20
Potassium-competitive Acid Blockers  Induced-fit Docking  Binding Free Energy  Protonated Form  H++  k+-atpase