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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  
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  
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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A theoretical exploration and regulating about the excited state process for 2-(4-(diphenylamino)phenyl)-3-hydroxy-4H-chromen-4-one system 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 8
Authors:  Wang, Yusheng;  Zhang, Qiaoli;  Xu, Kai;  Jiang, Weifen;  Yang, Dapeng
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charge transfer  ESIPT  intramolecular hydrogen bond  solvent polarity  
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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Investigation of the intramolecular hydrogen bonding interactions and excited state proton transfer mechanism for both Br-BTN and CN-BTN systems 期刊论文
RSC ADVANCES, 2019, 卷号: 9, 期号: 40, 页码: 23004-23011
Authors:  Yang, Dapeng;  Zhang, Qiaoli;  Song, Xiaoyan;  Zhang, Tianjie
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Theoretical insights into excited-state process for the novel 2,3-bis[(4-diethylamino-2-hydroxybenzylidene)amino]but-2-enedinitrile system 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 页码: 8
Authors:  Xu, Lei;  Zhang, Tianjie;  Yang, Dapeng;  Zhang, Qiaoli
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charge redistribution  ESDPT  intramolecular hydrogen bonds  IR vibrational spectra  potential energy curves  
A TD-DFT investigation of the photo-induced excited state intramolecular proton transfer dynamics for the novel 5,5 '-(9,9-dihexyl-9H-fluorene-2,7-diyl)bis(2-benzo[d]thiazol-2-yl)phenol) system 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 7
Authors:  Yang, Dapeng;  Song, Xiaoyan;  Zhang, Tianjie;  Gao, Haiyan
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charge density difference  dual hydrogen bonds  electronic densities  infrared vibrational spectra  potential energy surfaces  
A time-dependent density functional theory study on the excited state behavior of a novel T-2(OH)B molecule 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 页码: 8
Authors:  Jia, Min;  Song, Xiaoyan;  Yang, Xiaohui;  Yang, Dapeng
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charge distribution  ESIPT  intramolecular hydrogen bond  potential energy curve  
The effects of the heteroatom and position on excited-state intramolecular proton transfer of new hydroxyphenyl benzoxazole derivatives: a time-dependent density functional theory study 期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2019, 卷号: 6, 期号: 11, 页码: 1807-1815
Authors:  Li, Changming;  Guo, Wei;  Zhou, Panwang;  Tang, Zhe
Favorite  |  View/Download:0/0  |  Submit date:2019/07/26