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Computational understanding of the structural and electronic properties of the GeS-graphene contact 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 14, 页码: 7447-7453
Authors:  Chen, Hong;  Zhao, Jinfeng;  Huang, Jindou;  Liang, Yan
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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  
Theoretical study of charge-transport and optical properties of indeno[1,2-b] fluorene-6,12-dione-based semiconducting materials 期刊论文
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2018, 卷号: 74, 页码: 705-711
Authors:  Huang, Jin-Dou;  Zhao, Jinfeng;  Yu, Kun;  Huang, Xiaohua;  Cheng, Shi-Bo;  Ma, Huipeng
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indeno[1,2-b] fluorene-6,12-dione-based molecules  intrinsic hole mobility  intrinsic electron mobility  electronic spectra  density functional theory (DFT)  structure-function relationship  
Exploring and elaborating the excited state mechanism of a novel AIE material 2-(5-(4-carboxyphenyl)-2-hydroxyphenyl)benzothiazole 期刊论文
STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 6, 页码: 1767-1773
Authors:  Zhang, Qiaoli;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhao, Jinfeng
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Intramolecular hydrogen bond  Frontier molecular orbital  Charge density difference  Excited state proton transfer  Transition state  
A binding model study on TNP fluorescent sensor 4,40-(9,9 dimethylfluorene-2,7-diy1)dibenzoic acid 期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2018, 卷号: 367, 页码: 282-289
Authors:  Ma, Yinhua;  Zhao, Jinfeng;  Liu, Jianyong;  Yang, Yanqiang;  Chu, Tianshu
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Binding model  Time-dependent density functional theory  Weak interactions  TNP sensing  Photoinduced electron transfer  Binding energy  
Molecular Design for Electron-Driven Double-Proton Transfer: A New Scenario for Excited-State Proton-Coupled Electron Transfer 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 47, 页码: 9191-9198
Authors:  Ren, Guanghua;  Meng, Qingchi;  Zhao, Jinfeng;  Chu, Tianshu
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Solvent controlling excited state proton transfer reaction in quinoline/isoquinoline-pyrazole isomer QP-I: A theoretical study 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2018, 卷号: 31, 期号: 1
Authors:  Yang, Dapeng;  Yang, Guang;  Zhao, Jinfeng;  Song, Nahong;  Zheng, Rui;  Wang, Yusheng
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Excited State Proton Transfer  Frontier Molecular Orbitals  Intramolecular Hydrogen Bond  Potential Energy Curves  
A theoretical assignment on excited-state intramolecular proton transfer mechanism for quercetin 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2017, 卷号: 30, 期号: 11
Authors:  Yang, Dapeng;  Yang, Guang;  Zhao, Jinfeng;  Zheng, Rui;  Wang, Yusheng;  Lv, Jian
Favorite  |  View/Download:49/0  |  Submit date:2017/12/20
Aim  Esipt  Ir Vibrational Spectra  Mos  Potential Energy Curves  
A theoretical assignment on excited-state intramolecular proton transfer mechanism for quercetin 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2017, 卷号: 30, 期号: 11
Authors:  Yang, Dapeng;  Yang, Guang;  Zhao, Jinfeng;  Zheng, Rui;  Wang, Yusheng;  Lv, Jian
Favorite  |  View/Download:23/0  |  Submit date:2017/12/20
Aim  Esipt  Ir Vibrational Spectra  Mos  Potential Energy Curves  
Elaborating the excited-state proton transfer behaviors for novel 3H-MC and P2H-CH 期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2017, 卷号: 4, 期号: 10, 页码: 1935-1942
Authors:  Yang, Dapeng;  Zhao, Jinfeng;  Yang, Guang;  Song, Nahong;  Zheng, Rui;  Wang, Yusheng
Favorite  |  View/Download:21/0  |  Submit date:2017/12/20