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A theoretical study on the excited-state intramolecular proton transfer mechanism of 4-dimethylaminoflavonol chemosensor 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 1, 页码: 49-55
Authors:  Lv, Jian;  Yang, Guang;  Jia, Min;  Zhao, Jinfeng;  Song, Xiaoyan;  Zhang, Qiaoli
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charge transfer  ESIPT  intramolecular hydrogen bond  potential energy curves  
A comparative study on the bond features in CO, CS, and PbS 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 149, 期号: 22, 页码: 6
Authors:  Jiao, Chengxiang;  Qin, Zhengbo;  Cong, Ran;  Zheng, Xianfeng;  Cui, Zhifeng;  Xie, Hua;  Tang, Zichao
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Solvation effect on the ESIPT mechanism of 2-(4 '-amino-2 '-hydroxyphenyl)-1H-imidazo- [4,5-c]pyridine 期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2018, 卷号: 367, 页码: 261-269
Authors:  Tang, Zhe;  Lu, Meiheng;  Liu, Kangjing;  Zhao, Yanliang;  Qi, Yutai;  Wang, Yi;  Zhang, Peng;  Zhou, Panwang
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ESIPT  Molecular electrostatic potential surface  Frontier molecular orbitals  Potential-energy curves  
Theoretical Investigation of an Excited-State Intramolecular Proton-Transfer Mechanism for an Asymmetric Structure of 3,7-Dihydroxy-4-oxo-2-phenyl-4H-chromene-8-carbaldehyde: Single or Double? 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 46, 页码: 8807-8814
Authors:  Tang, Zhe;  Wang, Yi;  Bao, Dongshuai;  Lv, Meiheng;  Yang, Yi;  Tian, Jing;  Dong, Liang
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Influence of the Electrostatic Interaction between a Molecular Catalyst and Semiconductor on Photocatalytic Hydrogen Evolution Activity in Cobaloxime/CdS Hybrid Systems 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2017, 卷号: 9, 期号: 27, 页码: 23230-23237
Authors:  Xu, Yuxing;  Chen, Ruotian;  Li, Zhen;  Li, Ailong;  Han, Hongxian;  Li, Can
Favorite  |  View/Download:21/0  |  Submit date:2017/12/20
Electrostatic Interaction  Cobaloxime  Cadmium Sulfide (Cds)  Photocatalytic Hydrogen Evolution  Charge Transfer  
Influence of the Electrostatic Interaction between a Molecular Catalyst and Semiconductor on Photocatalytic Hydrogen Evolution Activity in Cobaloxime/CdS Hybrid Systems 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2017, 卷号: 9, 期号: 27, 页码: 23230-23237
Authors:  Xu, Yuxing;  Chen, Ruotian;  Li, Zhen;  Li, Ailong;  Han, Hongxian;  Li, Can
Favorite  |  View/Download:19/0  |  Submit date:2017/12/20
Electrostatic Interaction  Cobaloxime  Cadmium Sulfide (Cds)  Photocatalytic Hydrogen Evolution  Charge Transfer  
High-Efficiency Microiterative Optimization in QM/MM Simulations of Large Flexible Systems 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016, 卷号: 12, 期号: 9, 页码: 4632-4643
Authors:  Zhang, Yan;  Xie, Peng;  He, Xiaohu;  Han, Keli
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Excited state proton transfer coupled with twisted intermolecular charge transfer for N,N-dimethylanilino-1,3-diketone in high polar acetonitrile solvent 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2016, 卷号: 220, 页码: 735-741
Authors:  Zhao, Jinfeng;  Yang, Yang
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Hydrogen Bond  Esipt  Tict  Frontier Molecular Orbitals  Potential Energy Surfaces  
Hydrophilic solid-phase extraction of melamine with ampholine-modified hybrid organic-inorganic silica material 期刊论文
JOURNAL OF SEPARATION SCIENCE, 2015, 卷号: 38, 期号: 1, 页码: 87
Authors:  Wang TT(王婷婷);  YimingZhu;  Ma JF(马俊锋);  RongrongXuan;  HaoqiGao;  Liang Z(梁振);  Zhang LH(张丽华);  Zhang YK(张玉奎)
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H2 Stimulated Raman Scattering in a Multi-pass Cell with a Herriott Configuration 期刊论文
CHINESE PHYSICS LETTERS, 2015, 卷号: 32, 期号: 1, 页码: 114207
Authors:  Cai XL(蔡向龙);  Zhou CH(周灿华);  Zhou DJ(周冬建);  Liu JB(刘金波);  Guo JW(郭敬为);  Gui L(贵林)
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