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Theoretical insights into the sensing mechanism of a series of terpyridine-based chemosensors for TNP 期刊论文
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 725, 页码: 45-51
Authors:  Lu, Meiheng;  Zhang, Xuexiang;  Zhou, Panwang;  Tang, Zhe;  Qiao, Yan;  Yang, Yanqiang;  Liu, Jianyong
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20
Sensing mechanism  Fluorescent sensor  PET  DFT  Nitroaromatics  
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
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charge redistribution  ESIPT  intramolecular hydrogen bond  potential energy curves  
Organic polymorphs with fluorescence switching: direct evidence for mechanical and thermal modulation of excited state transitions 期刊论文
CHEMICAL COMMUNICATIONS, 2019, 卷号: 55, 期号: 26, 页码: 3749-3752
Authors:  Jiang, Shan;  Wang, Jiayu;  Qi, Qingkai;  Qian, Jingyu;  Xu, Bin;  Li, Fangfei;  Zhou, Qiang;  Tian, Wenjing
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Theoretical exploration about excited state proton transfer mechanism for a series of phenol-quinoline compounds 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 4, 页码: 371-376
Authors:  Zhang, Tianjie;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Yang, Dapeng
Favorite  |  View/Download:3/0  |  Submit date:2019/06/25
ESIPT  intramolecular hydrogen bond  IR spectra  MOs  potential energy curves  
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  
Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: A theoretical investigation 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 210, 页码: 159-164
Authors:  Yang, Dapeng;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli;  Zhang, Tianjie
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Dual intramolecular hydrogen bonds  Steady state spectra  Infrared vibrational spectra  Frontier molecular orbital  Charge density difference  Potential energy surface  
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
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double  ESIPT mechanism  intramolecular hydrogen bond  single  TDDFT  
Insights into the excited state dynamical process for 3-hydroxy-2-(5-(5-(5-(3-hydroxy-4-oxo-4H-chromen-2-yl)thiophen-2-yl)thiophen-2-yl)thiophen-2-yl)-4H-chromen-4-one 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 3, 页码: 8
Authors:  Wang, Yusheng;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli;  Yang, Dapeng
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charge density difference  charge redistribution  ESIPT  intramolecular hydrogen bond  
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  
Rhodamine-naphthalimide demonstrated a distinct aggregation-induced emission mechanism: elimination of dark-states via dimer interactions (EDDI) 期刊论文
CHEMICAL COMMUNICATIONS, 2019, 卷号: 55, 期号: 10, 页码: 1446-1449
Authors:  Qi, Qingkai;  Huang, Lu;  Yang, Runqing;  Li, Jin;  Qiao, Qinglong;  Xu, Bin;  Tian, Wenjing;  Liu, Xiaogang;  Xu, Zhaochao
Favorite  |  View/Download:16/0  |  Submit date:2019/06/20