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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
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Sensing mechanism  Fluorescent sensor  PET  DFT  Nitroaromatics  
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
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Solvation effect on the ESIPT mechanism of 2-(4 '-amino-2 '-hydroxyphenyl)-1H-imidazo- [4,5-c]pyridine 期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2018, 卷号: 367, 页码: 261-269
Authors:  Tang, Zhe;  Lu, Meiheng;  Liu, Kangjing;  Zhao, Yanliang;  Qi, Yutai;  Wang, Yi;  Zhang, Peng;  Zhou, Panwang
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ESIPT  Molecular electrostatic potential surface  Frontier molecular orbitals  Potential-energy curves  
The effect of benzo-annelation on intermolecular hydrogen bond and proton transfer of 2-methyl-3-hydroxy-4(1H)-quinolone in methanol: A TD-DFT study 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2018, 卷号: 31, 期号: 5
Authors:  Zhao, Yanliang;  Wang, Meishan;  Zhou, Panwang;  Yang, Chuanlu;  Ma, Xiaoguang;  Tang, Zhe;  Bao, Dongshuai
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Electronic Spectra  Excited-state Proton Transfer  Hydrogen Bond  Transition State  
Excited-State Proton Transfer Mechanism of 2,6-Diazaindoles-(H2O)(n) (n=2-4) Clusters 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 14, 页码: 3988-3995
Authors:  Tang, Zhe;  Qi, Yutai;  Wang, Yi;  Zhou, Panwang;  Tian, Jing;  Fei, Xu
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Reconsideration of the Detection and Fluorescence Mechanism of a Pyrene-Based Chemosensor for TNT 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 5, 页码: 1400-1405
Authors:  Lu, Meiheng;  Zhou, Panwang;  Ma, Yinhua;  Tang, Zhe;  Yang, Yanqiang;  Han, Keli
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Theoretical investigation of twisted charge-transfer-promoted intramolecular proton transfer in the excited state of 4 '-dimethylaminoflavonol in a highly polar solvent 期刊论文
JOURNAL OF LUMINESCENCE, 2018, 卷号: 194, 页码: 785-790
Authors:  Tang, Zhe;  Yang, Yunfan;  Yang, Yi;  Wang, Yi;  Tian, Jing;  Fei, Xu
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Excited-state Intramolecular Proton Transfer  Hydrogen Bond  Twisted Intramolecular Charge Transfer  Reduced Density Gradient  Potential-energy Curve  
Theoretical Investigation of an Excited-State Intramolecular Proton-Transfer Mechanism for an Asymmetric Structure of 3,7-Dihydroxy-4-oxo-2-phenyl-4H-chromene-8-carbaldehyde: Single or Double? 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 46, 页码: 8807-8814
Authors:  Tang, Zhe;  Wang, Yi;  Bao, Dongshuai;  Lv, Meiheng;  Yang, Yi;  Tian, Jing;  Dong, Liang
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Theoretical study of the effect of ligand topology on Fe(IV)O and Ru(IV)O complex reactivities 期刊论文
INORGANICA CHIMICA ACTA, 2016, 卷号: 443, 页码: 235-242
Authors:  Tang, Zhe;  Wang, Yi;  Cui, Xiaolei;  Yang, Ying;  Tian, Jing;  Fei, Xu;  Lv, Shuangjiang
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Non-heme  Density Functional Theory Calculation  Hydrogen Abstraction  Ligand Topology Effect  
Rapid and sensitive analysis of parishin and its metabolites in ratplasma using ultra high performance liquidchromatography-fluorescence detection 期刊论文
Journal of Chromatography B, 2014, 卷号: 973, 期号: 1, 页码: 104
Authors:  Tang CL(唐春兰);  Wang L(王莉);  Cheng MC(程孟春);  Zhang XZ(张晓哲);  Liu XY(刘晓燕);  Xiao HB(肖红斌)
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