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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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Revealing the switching mechanisms of an off-on-off fluorescent logic gate system 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 30, 页码: 16798-16803
Authors:  Chi, Weijie;  Chen, Jie;  Qiao, Qinglong;  Gao, Ying;  Xu, Zhaochao;  Liu, Xiaogang
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TDDFT study on aluminum and fluoride dual-sensing mechanism of a Schiff-Base sensor 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 211, 页码: 44-51
Authors:  Liu, Dong;  Wang, Jie-Ping;  Li, Guang-Yue;  Zhou, Can-Hua
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Sensor  Fluorescence  Excited state  TICT  ESPT  
Performance of time-dependent density functional theory on twisted intramolecular charge transfer state of emerging visible light photoswitches 期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2019, 卷号: 371, 页码: 336-340
Authors:  Liu, Yan;  Luo, Jian
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Molecular motor  Molecular machine  Photoisomerization  Hula twist  Benchmark  
Elaborating the excited state behavior of 2-(4-N,N-dimethylaminophenyl)-imidazo[4,5-c]pyridine coupling with methanol solvent 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2018, 卷号: 31, 期号: 3
Authors:  Yang, Dapeng;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli
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Electronic Spectra  Hydrogen Bond  Ir Spectra  Potential Energy Curves  
DFT/TDDFT Study on the Sensing Mechanism of a Fluorescent Probe for Hydrogen Sulfide: Excited State Intramolecular Proton Transfer Coupled Twisted Intramolecular Charge Transfer 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 28, 页码: 5245-5256
Authors:  Li, Yang;  Chu, Tian-Shu
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DFT/TDDFT Study on the Sensing Mechanism of a Fluorescent Probe for Hydrogen Sulfide: Excited State Intramolecular Proton Transfer Coupled Twisted Intramolecular Charge Transfer 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 28, 页码: 5245-5256
Authors:  Li, Yang;  Chu, Tian-Shu
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Substantial Intramolecular Charge Transfer Induces Long Emission Wavelengths and Mega Stokes Shifts in 6-Aminocoumarins 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: 121, 页码: 13274-13279
Authors:  Liu, Xiaogang;  Cole, Jacqueline M.;  Xu, Zhaochao
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The new competitive mechanism of hydrogen bonding interactions and transition process for the hydroxyphenyl imidazo [1, 2-a] pyridine in mixed liquid solution 期刊论文
SCIENTIFIC REPORTS, 2017, 卷号: 7
Authors:  Li, Yongqing;  Yang, Yunfan;  Ding, Yong
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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
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
Hydrogen Bond  Esipt  Tict  Frontier Molecular Orbitals  Potential Energy Surfaces