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Biflavones from Ginkgo biloba as inhibitors of human thrombin 期刊论文
BIOORGANIC CHEMISTRY, 2019, 卷号: 92, 页码: 10
Authors:  Chen, Tian-Ran;  Wei, Ling-Hua;  Guan, Xiao-Qing;  Huang, Chao;  Liu, Zhe-Yi;  Wang, Fang-Jun;  Hou, Jie;  Jin, Qiang;  Liu, Yi-Fan;  Wen, Pei-Hao;  Zhang, Shui-Jun;  Ge, Guang-Bo;  Guo, Wen-Zhi
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Ginkgo biloba  Thrombin  Proteolytic activity  Biflavones  Inhibitory effects  
Investigation on the excited state intramolecular proton transfer process for the novel 2-(3,5-dichloro-2-hydroxy-phenyl)-benzooxazole-5-carboxylicacid system 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 10, 页码: 9
Authors:  Gao, Haiyan;  Yang, Xiaohui;  Zhang, Tianjie;  Yang, Dapeng
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charge density differences  charge redistribution  ESIPT  frontier molecular orbital  intramolecular hydrogen bond  
Influence of Anchoring Groups on the Charge Transfer and Performance of p-Si/TiO2/Cobaloxime Hybrid Photocathodes for Photoelectrochemical H-2 Production 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2019, 卷号: 11, 期号: 37, 页码: 34010-34019
Authors:  Gong, Lunlun;  Yin, Heng;  Nie, Chengming;  Sun, Xuran;  Wang, Xiuli;  Wang, Mei
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anchoring group  cobaloxime  hydrogen production  photocathode  photoelectrochemistry  silicon  
Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited (2)sigma(+) state of OH by molecular hydrogen 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 151, 期号: 10, 页码: 25
Authors:  Shu, Yinan;  Kryven, Joanna;  Sampaio de Oliveira-Filho, Antonio Gustavo;  Zhang, Linyao;  Song, Guo-Liang;  Li, Shaohong L.;  Meana-Paeda, Ruben;  Fu, Bina;  Bowman, Joel M.;  Truhlar, Donald G.
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Combination Rules and Accurate van der Waals Force Field for Gas Uptakes in Porous Materials 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 36, 页码: 7847-7854
Authors:  Yang, Li;  Sun, Lei;  Deng, Wei-Qiao
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Theoretical insights into elaborating and regulating excited state dynamics for the novel 6-cyano-2-(2 '-hydroxyphenyl)imidazo[1,2a]pyridine system in polar and nonpolar solvents 期刊论文
MOLECULAR PHYSICS, 2019, 页码: 9
Authors:  Xu, Lei;  Zhang, Qiaoli;  Zhang, Tianjie;  Yang, Dapeng
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Intramolecular hydrogen bond  ESIPT  charge density difference  charge redistribution  solvent polarity  
Water Oxidation Catalysts for Artificial Photosynthesis 期刊论文
ADVANCED MATERIALS, 2019, 页码: 33
Authors:  Ye, Sheng;  Ding, Chunmei;  Liu, Mingyao;  Wang, Aoqi;  Huang, Qinge;  Li, Can
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artificial photosynthesis  heterogeneous catalysis  homogeneous catalysis  natural photosynthesis  water oxidation catalysts  
A theoretical study of the ESIPT mechanism of 3-hydroxyflavone derivatives: solvation effect and the importance of TICT for its dual fluorescence properties 期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2019, 卷号: 6, 期号: 17, 页码: 3136-3143
Authors:  Qi, Yutai;  Lu, Meiheng;  Wang, Yi;  Tang, Zhe;  Gao, Ziqing;  Tian, Jing;  Fei, Xu;  Li, Yao;  Liu, Jianyong
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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  
Effect of solvent environment on excited state intramolecular proton transfer in 2-(4-(dimethylamino)phenyl)-3-hydroxy-6,7-dimethoxy-4h-chromen-4-one 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 32, 页码: 17711-17719
Authors:  Chen, Yunpeng;  Yang, Yunfan;  Zhao, Yu;  Liu, Shixing;  Li, Yongqing
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