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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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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  
Theoretical perspective on the reaction mechanism from arylpentazenes to arylpentazoles: new insights into the enhancement of cyclo-N-5 production 期刊论文
CHEMICAL COMMUNICATIONS, 2019, 卷号: 55, 期号: 18, 页码: 2628-2631
Authors:  Ren, Guanghua;  Liu, Runze;  Zhou, Panwang;  Zhang, Chaoyang;  Liu, Jianyong;  Han, Keli
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How Does the O-6-Methylation Regulate the Excited-State Decay of Guanine Monomers 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2019, 卷号: 123, 期号: 1, 页码: 201-206
Authors:  Zhou, Panwang;  Zhao, Li
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Why the lowest electronic excitations of rhodamines are overestimated by time-dependent density functional theory 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2018, 卷号: 118, 期号: 23, 页码: 11
Authors:  Zhou, Panwang
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ADC(2)  cyanine dyes  rhodamine dyes  TDDFT  XMCQDPT2  
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  
New insights into the sensing mechanism of a phosphonate pyrene chemosensor for TNT 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 29, 页码: 19539-19545
Authors:  Lu, Meiheng;  Zhou, Panwang;  Li, Zhongwei;  Liu, Jianyong;  Yang, Yandiang;  Han, Keli
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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
Favorite  |  View/Download:6/0  |  Submit date:2019/06/20