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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
Dynamic Excited-State Intramolecular Proton Transfer Mechanisms of Two Novel 3-Hydroxyflavone-Based Chromophores in Two Different Surroundings 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 18, 页码: 3937-3948
Authors:  Hao, Jiaojiao;  Yang, Yang
Favorite  |  View/Download:7/0  |  Submit date:2019/06/25
Theoretical elaboration about the excited state dynamical behaviors for a novel fluorescent sensor 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 5, 页码: 7
Authors:  Zhang, Tianjie;  Zhang, Qiaoli;  Lu, Xuemei;  Jia, Min;  Song, Xiaoyan;  Yang, Dapeng
Favorite  |  View/Download:4/0  |  Submit date:2019/06/20
charge redistribution  ESIPT  intramolecular hydrogen bond  potential energy curves  
Visible-Light-Driven Sensitization of Naphthalene Triplets Using Quantum-Confined CsPbBr3 Nanocrystals 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2019, 卷号: 10, 期号: 7, 页码: 1457-1463
Authors:  Han, Yaoyao;  Luo, Xiao;  Lai, Runchen;  Li, Yulu;  Liang, Guijie;  Wu, Kaifeng
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
Hydroxyl super rotors from vacuum ultraviolet photodissociation of water 期刊论文
NATURE COMMUNICATIONS, 2019, 卷号: 10, 页码: 7
Authors:  Chang, Yao;  Yu, Yong;  Wang, Heilong;  Hu, Xixi;  Li, Qinming;  Yang, Jiayue;  Su, Shu;  He, Zhigang;  Chen, Zhichao;  Che, Li;  Wang, Xingan;  Zhang, Weiqing;  Wu, Guorong;  Xie, Daiqian;  Ashfold, Michael N. R.;  Yuan, Kaijun;  Yang, Xueming
Favorite  |  View/Download:6/0  |  Submit date:2019/06/20
Does the wavelength dependent photoisomerization process of the p-coumaric acid come out from the electronic state dependent pathways? 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 211, 页码: 203-211
Authors:  Zhao, Li;  Liu, Jianyong;  Zhou, Panwang
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Fluorescent protein  Wavelength dependent  Nonadiabatic process  Photoisomerization  
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
Favorite  |  View/Download:5/0  |  Submit date:2019/06/20
Sensor  Fluorescence  Excited state  TICT  ESPT  
Combined study of the ground and excited states in the transformation of nanodiamonds into carbon onions by electron energy-loss spectroscopy 期刊论文
SCIENTIFIC REPORTS, 2019, 卷号: 9, 页码: 7
Authors:  Feng, Zhenbao;  Lin, Yangming;  Tian, Cunwei;  Hu, Haiquan;  Su, Dangsheng
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The theoretical study about the ESIPT mechanism for 2,4-bis(benzooxazol-2 '-yl)hydroquinone: Single or double? 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 3, 页码: 8
Authors:  Hao, Jiaojiao;  Yang, Yang
Favorite  |  View/Download:5/0  |  Submit date:2019/06/20
double  ESIPT mechanism  intramolecular hydrogen bond  single  TDDFT  
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
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
Molecular motor  Molecular machine  Photoisomerization  Hula twist  Benchmark