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A theoretical exploration and regulating about the excited state process for 2-(4-(diphenylamino)phenyl)-3-hydroxy-4H-chromen-4-one system 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 8
Authors:  Wang, Yusheng;  Zhang, Qiaoli;  Xu, Kai;  Jiang, Weifen;  Yang, Dapeng
Favorite  |  View/Download:2/0  |  Submit date:2019/12/02
charge transfer  ESIPT  intramolecular hydrogen bond  solvent polarity  
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
Favorite  |  View/Download:4/0  |  Submit date:2019/06/20
charge density difference  charge redistribution  ESIPT  intramolecular hydrogen bond  
Theoretical explorations about the excited state behaviors for two novel high efficient ESIPT compounds 期刊论文
STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 6, 页码: 1817-1823
Authors:  Wang, Yusheng;  Yang, Guang;  Zhang, Qiaoli;  Song, Xiaoyan;  Yang, Dapeng
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
Hydrogen bond  Charge density difference  ESIPT  Potential energy curves  
Theoretical insights into the ESIPT process for pi-conjugated benzimidazole compounds 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2018, 卷号: 31, 期号: 11, 页码: 7
Authors:  Wang, Yusheng;  Yang, Guang;  Yang, Dapeng
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
electronic spectra  frontier molecular orbital  potential energy curves  TDDFT  
Theoretical insights into the excited state intramolecular proton transfer mechanism for a novel 4-methoxy-3-hydroxyflavone system 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2018, 卷号: 65, 期号: 11, 页码: 1326-1332
Authors:  Wang, Yusheng;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Yang, Dapeng
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
charge redistribution  ESIPT  hydrogen bond  transition state  
Solvent controlling excited state proton transfer reaction in quinoline/isoquinoline-pyrazole isomer QP-I: A theoretical study 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2018, 卷号: 31, 期号: 1
Authors:  Yang, Dapeng;  Yang, Guang;  Zhao, Jinfeng;  Song, Nahong;  Zheng, Rui;  Wang, Yusheng
Favorite  |  View/Download:5/0  |  Submit date:2019/06/20
Excited State Proton Transfer  Frontier Molecular Orbitals  Intramolecular Hydrogen Bond  Potential Energy Curves  
A theoretical assignment on excited-state intramolecular proton transfer mechanism for quercetin 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2017, 卷号: 30, 期号: 11
Authors:  Yang, Dapeng;  Yang, Guang;  Zhao, Jinfeng;  Zheng, Rui;  Wang, Yusheng;  Lv, Jian
Favorite  |  View/Download:59/0  |  Submit date:2017/12/20
Aim  Esipt  Ir Vibrational Spectra  Mos  Potential Energy Curves  
A theoretical assignment on excited-state intramolecular proton transfer mechanism for quercetin 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2017, 卷号: 30, 期号: 11
Authors:  Yang, Dapeng;  Yang, Guang;  Zhao, Jinfeng;  Zheng, Rui;  Wang, Yusheng;  Lv, Jian
Favorite  |  View/Download:27/0  |  Submit date:2017/12/20
Aim  Esipt  Ir Vibrational Spectra  Mos  Potential Energy Curves  
Elaborating the excited-state proton transfer behaviors for novel 3H-MC and P2H-CH 期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2017, 卷号: 4, 期号: 10, 页码: 1935-1942
Authors:  Yang, Dapeng;  Zhao, Jinfeng;  Yang, Guang;  Song, Nahong;  Zheng, Rui;  Wang, Yusheng
Favorite  |  View/Download:30/0  |  Submit date:2017/12/20
Elaborating the excited-state proton transfer behaviors for novel 3H-MC and P2H-CH 期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2017, 卷号: 4, 期号: 10, 页码: 1935-1942
Authors:  Yang, Dapeng;  Zhao, Jinfeng;  Yang, Guang;  Song, Nahong;  Zheng, Rui;  Wang, Yusheng
Favorite  |  View/Download:25/0  |  Submit date:2017/12/20