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A DFT/TDDFT Investigation of Excited State Dynamical Mechanism of (E)-1-((2,2-Diphenylhydrazono)methyl)naphthalen-2-ol 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2017, 卷号: 64, 期号: 12, 页码: 1385-1391
Authors:  Yang, Dapeng;  Wu, Jingyuan;  Jia, Min;  Song, Xiaoyan
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Electronic Spectra  Frontier Molecular Orbitals  Excited-state Intramolecular Proton Transfer  Potential Energy Surface  
Interfacial charge transfer in semiconductor-molecular photocatalyst systems for proton reduction 期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY C-PHOTOCHEMISTRY REVIEWS, 2017, 卷号: 33, 页码: 165-179
Authors:  Wang, Xiuli;  Li, Can
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Semiconductor  Quantum Dots  Molecular Catalyst  Interfacial Charge Transfer  Charge Carrier Dynamics  Surface States  
Concerted Mechanisms of Excited-State Proton Intramolecular Transfer for Bis-2,4-(2-benzoxazolyl)-hydroquinone and Its Derivatives 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 43, 页码: 8217-8226
Authors:  Bao, Dongshuai;  Wang, Meishan;  Yang, Chuanlu;  Yang, Yunfan;  Ma, Xiaoguang
Favorite  |  View/Download:16/0  |  Submit date:2017/12/19
Concerted Mechanisms of Excited-State Proton Intramolecular Transfer for Bis-2,4-(2-benzoxazolyl)-hydroquinone and Its Derivatives 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 43, 页码: 8217-8226
Authors:  Bao, Dongshuai;  Wang, Meishan;  Yang, Chuanlu;  Yang, Yunfan;  Ma, Xiaoguang
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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:54/0  |  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:26/0  |  Submit date:2017/12/20
Aim  Esipt  Ir Vibrational Spectra  Mos  Potential Energy Curves  
A theoretical study about excited state behaviour for imide compound N-cyclohexyl-3-hydroxyphthalimide and 3,6-dihydroxy-N-cyclohexylphthalimide 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2017, 卷号: 241, 页码: 1003-1008
Authors:  Yang, Dapeng;  Zhao, Jinfeng;  Yang, Guang;  Song, Nahong;  Zheng, Rui;  Wang, Yusheng
Favorite  |  View/Download:16/0  |  Submit date:2017/12/19
Hydrogen Bond  Frontier Molecular Orbitals  Esipt  Potential Energy Surface  
A theoretical study about excited state behaviour for imide compound N-cyclohexyl-3-hydroxyphthalimide and 3,6-dihydroxy-N-cyclohexylphthalimide 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2017, 卷号: 241, 页码: 1003-1008
Authors:  Yang, Dapeng;  Zhao, Jinfeng;  Yang, Guang;  Song, Nahong;  Zheng, Rui;  Wang, Yusheng
Favorite  |  View/Download:13/0  |  Submit date:2017/12/19
Hydrogen Bond  Frontier Molecular Orbitals  Esipt  Potential Energy Surface  
Charge-Transfer Dynamics Promoted by Hole Trap States in CdSe Quantum Dots-Ni2+ Photocatalytic System 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: 121, 期号: 32, 页码: 17112-17120
Authors:  Ye, Yun;  Wang, Xiuli;  Ye, Sheng;  Xu, Yuxing;  Feng, Zhaochi;  Li, Can
Favorite  |  View/Download:23/0  |  Submit date:2017/12/19
Charge-Transfer Dynamics Promoted by Hole Trap States in CdSe Quantum Dots-Ni2+ Photocatalytic System 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: 121, 期号: 32, 页码: 17112-17120
Authors:  Ye, Yun;  Wang, Xiuli;  Ye, Sheng;  Xu, Yuxing;  Feng, Zhaochi;  Li, Can
Favorite  |  View/Download:27/0  |  Submit date:2017/12/19