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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
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20
Dual intramolecular hydrogen bonds  Steady state spectra  Infrared vibrational spectra  Frontier molecular orbital  Charge density difference  Potential energy surface  
Theoretical investigation on ESIPT mechanism of a new fluorescent sensor in different solvents 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2016, 卷号: 159, 页码: 30-34
Authors:  Yang, Dapeng;  Zheng, Rui;  Wang, Yusheng;  Lv, Jian
Favorite  |  View/Download:0/0  |  Submit date:2019/06/20
Hydrogen Bonding  Esipt  Frontier Molecular Orbitals  Electronic Spectra  Potential Energy Curves  
A DFT/TDDFT investigation of the excited state proton transfer reaction 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2015, 卷号: 151, 期号: 0, 页码: 368
Authors:  Yang DP(杨大鹏);  Zhao JF(赵金峰);  Rui Zheng;  Yusheng Wang;  Jian Lv
Favorite  |  View/Download:16/0  |  Submit date:2016/11/24
A DFT/TDDFT investigation of the excited state proton transfer reaction of fisetin chromophore 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2015, 卷号: 151, 页码: 368-374
Authors:  Yang, Dapeng;  Zhao, Jinfeng;  Zheng, Rui;  Wang, Yusheng;  Lv, Jian
Favorite  |  View/Download:100/0  |  Submit date:2015/11/17
Hydrogen Bonding  Esipt  Frontier Molecular Orbitals  Electronic Spectra  Potential Energy Curves  
Modulation of the 4-aminophthalimide spectral properties by hydrogen bonds in water 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2014, 卷号: 131, 期号: 1, 页码: 214
Authors:  Yang DP(杨大鹏);  Zhang Y(张岩)
Adobe PDF(2049Kb)  |  Favorite  |  View/Download:30/17  |  Submit date:2015/11/16
Modulation of the 4-aminophthalimide spectral properties by hydrogen bonds in water 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2014, 卷号: 131, 页码: 214-224
Authors:  Yang, Dapeng;  Zhang, Yan
Favorite  |  View/Download:15/0  |  Submit date:2015/11/13
Dft And td-Dft Methods  Absorption And Fluorescence Spectra  Hydrogen Bonds Of Different Types And Numbers  Modulation Of Spectral Properties