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Interwoven Molecular Chains Obtained by Ionic Self-Assembly of Two Iron(III) Porphyrins with Opposite and Mismatched Charges 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2019, 卷号: 11, 期号: 37, 页码: 34203-34211
Authors:  Xie, Yan;  Zhong, Qinglu;  Lv, Yang;  Li, Jia;  Hao, Zhiqiang;  Tang, Chizhou;  Wei, Xuming;  Su, Yang;  Huang, Jiahui;  Wang, Anjie;  Guo, Xinwen;  Wang, Junhu;  Li, Guohui;  Song, Yujiang
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porphyrin  electrocatalysts  ionic self-assembly  oxygen reduction reaction  molecular dynamics simulation  
Exploring the autoinhibition mechanism of the C-terminal guanine nucleotide exchange factor module of Trio through molecular dynamics simulations 期刊论文
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 730, 页码: 100-104
Authors:  Zhang, Yuxin
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TrioC  DH-PH interface  MD  Hydrogen bond  
Adsorption Structure and Coverage-Dependent Orientation Analysis of Sub-Monolayer Acetonitrile on TiO2(110) 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 29, 页码: 17915-17924
Authors:  Zhang, Ruidan;  Dong, Jichao;  Luo, Ting;  Tang, Fujie;  Peng, Xingxing;  Zhou, Chuanyao;  Yang, Xueming;  Xu, Limei;  Ren, Zefeng
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Dynamic Nuclear Polarization Magic-Angle Spinning Nuclear Magnetic Resonance Combined with Molecular Dynamics Simulations Permits Detection of Order and Disorder in Viral Assemblies 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2019, 卷号: 123, 期号: 24, 页码: 5048-5058
Authors:  Gupta, Rupal;  Zhang, Huilan;  Lu, Manman;  Hou, Guangjin;  Caporini, Marc;  Rosay, Melanie;  Maas, Werner;  Struppe, Jochem;  Ahn, Jinwoo;  Byeon, In-Ja L.;  Oschkinat, Hartmut;  Jaudzems, Kristaps;  Barbet-Massin, Emeline;  Emsley, Lyndon;  Pintacuda, Guido;  Lesage, Anne;  Gronenborn, Angela M.;  Polenova, Tatyana
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The Influence of Sodium Iodide Salt on the Interfacial Properties of Aqueous Methanol Solution by a Combined Molecular Simulation and Sum Frequency Generation Vibrational Spectroscopy Study 期刊论文
LANGMUIR, 2019, 卷号: 35, 期号: 21, 页码: 7050-7059
Authors:  Liu, Jianchuan;  Li, Xia;  Hou, Jian;  Li, Xun;  Lu, Zhou
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Theoretical study of the formation mechanism of sulfur-containing gases in the CO2 gasification of lignite 期刊论文
FUEL, 2019, 卷号: 242, 页码: 398-407
Authors:  Chen, Shi-Yun;  Ding, Jun-Xia;  Li, Guang-Yue;  Wang, Jie-Ping;  Tian, Yan;  Liang, Ying-Hua
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Gasification  Lignite  Mechanism  Sulfur  ReaxFF  
Insights into the high-temperature oxidation of methylcyclohexane 期刊论文
FUEL, 2019, 卷号: 241, 页码: 273-282
Authors:  Liu, Yalan;  Li, Guangyue;  Ding, Junxia
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Methylcyclohexane  ReaxFF  Oxidation  Kinetic behaviors  
Does the wavelength dependent photoisomerization process of the p-coumaric acid come out from the electronic state dependent pathways? 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 211, 页码: 203-211
Authors:  Zhao, Li;  Liu, Jianyong;  Zhou, Panwang
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Fluorescent protein  Wavelength dependent  Nonadiabatic process  Photoisomerization  
In situ reduction and exfoliation of g-C3N4 nanosheets with copious active sites via a thermal approach for effective water splitting 期刊论文
CATALYSIS SCIENCE & TECHNOLOGY, 2019, 卷号: 9, 期号: 4, 页码: 1004-1012
Authors:  Pawar, Rajendra C.;  Kang, Suhee;  Han, Hyuksu;  Choi, Heechae;  Lee, Caroline S.
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Higher Accuracy Achieved in the Simulations of Protein Structure Refinement, Protein Folding, and Intrinsically Disordered Proteins Using Polarizable Force Fields 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2018, 卷号: 9, 期号: 24, 页码: 7110-7116
Authors:  Wang, Anhui;  Zhang, Zhichao;  Li, Guohui
Favorite  |  View/Download:5/0  |  Submit date:2019/06/20