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TDDFT study on aluminum and fluoride dual-sensing mechanism of a Schiff-Base sensor 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 211, 页码: 44-51
Authors:  Liu, Dong;  Wang, Jie-Ping;  Li, Guang-Yue;  Zhou, Can-Hua
Favorite  |  View/Download:5/0  |  Submit date:2019/06/20
Sensor  Fluorescence  Excited state  TICT  ESPT  
Different types of hydrogen-bonded complexes would accelerate or delay the excited state proton transfer in 3-hydroxyflavone 期刊论文
JOURNAL OF LUMINESCENCE, 2019, 卷号: 206, 页码: 46-52
Authors:  Yang, Songqiu;  Zhang, Yan;  Han, Keli
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20
Excited state proton transfer  Hydrogen-bonded complex  Time-resolved spectroscopy  Cam-b3lyp  Dual emission  
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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Elaborating a new excited state intramolecular proton transfer (ESPT) mechanism for a new pi-conjugated dye 2,2'-((5-(2-(4-methoxyphenyl) ethenyl)-benzene-1,1-diyl)-bis-(nitrilomethylylidene)-diphenol) 期刊论文
CANADIAN JOURNAL OF CHEMISTRY, 2018, 卷号: 96, 期号: 3, 页码: 351-357
Authors:  Yang, Dapeng;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20
Esipt  Aim  Mos  Potential Energy Surfaces  
A theoretical investigation on excited-state single or double proton transfer process for aloesaponarin I 期刊论文
CANADIAN JOURNAL OF CHEMISTRY, 2018, 卷号: 96, 期号: 1, 页码: 83-88
Authors:  Wei, Qiang;  Wang, Jiyu;  Zhao, Meiyu;  Zhang, Meixia;  Song, Yuzhi;  Song, Peng
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Proton Transfer  Intramolecular Hydrogen Bond  Pes  Frontier Molecular Orbital  
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:29/0  |  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:23/0  |  Submit date:2017/12/20
A DFT/TDDFT Study on Excited State Process of a Novel Probe 4'-Fluoroflavonol 期刊论文
JOURNAL OF CLUSTER SCIENCE, 2017, 卷号: 28, 期号: 5, 页码: 2449-2460
Authors:  Yang, Dapeng;  Yang, Guang;  Zhao, Jinfeng;  Zheng, Rui;  Wang, Yusheng
Favorite  |  View/Download:17/0  |  Submit date:2017/12/20
Tddft  Esipt  Absorption And Fluorescence Spectra  Potential Energy Curve  
A DFT/TDDFT Study on Excited State Process of a Novel Probe 4'-Fluoroflavonol 期刊论文
JOURNAL OF CLUSTER SCIENCE, 2017, 卷号: 28, 期号: 5, 页码: 2449-2460
Authors:  Yang, Dapeng;  Yang, Guang;  Zhao, Jinfeng;  Zheng, Rui;  Wang, Yusheng
Favorite  |  View/Download:16/0  |  Submit date:2017/12/20
Tddft  Esipt  Absorption And Fluorescence Spectra  Potential Energy Curve  
A competitive excited state dynamical process for the 2,2 '-((1E,1 ' E)-((3,3 '-dimethyl-[1,1 '-biphenyl]-4,4 '-diyl)-bis(azanylylidene))bis(methanylylidene))-diphenol system 期刊论文
RSC ADVANCES, 2017, 卷号: 7, 期号: 3, 页码: 1299-1304
Authors:  Yang, Dapeng;  Yang, Guang;  Zhao, Jinfeng;  Zheng, Rui;  Wang, Yusheng
Favorite  |  View/Download:18/0  |  Submit date:2017/10/29