DICP OpenIR
(Note: the search results are based on claimed items)

Browse/Search Results:  1-4 of 4 Help

Filters        
Selected(0)Clear Items/Page:    Sort:
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
Favorite  |  View/Download:6/0  |  Submit date:2019/06/20
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
Favorite  |  View/Download:10/0  |  Submit date:2019/06/20
ESIPT  Molecular electrostatic potential surface  Frontier molecular orbitals  Potential-energy curves  
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
Excited-state proton transfer of 4-hydroxyl-1, 8-naphthalimide derivatives: A combined experimental and theoretical investigation 期刊论文
JOURNAL OF LUMINESCENCE, 2016, 卷号: 177, 页码: 197-203
Authors:  Qu, Zongjin;  Li, Peng;  Zhang, Xuexiang;  Wang, Endong;  Wang, Yanni;  Zhou, Panwang
Favorite  |  View/Download:5/0  |  Submit date:2019/06/20
Naphthalimide  Excited-state Proton Transfer  Photoacid  Contact Ion Pair  Time-dependent Density Functional Theory