DICP OpenIR

Browse/Search Results:  1-3 of 3 Help

Filters    
Selected(0)Clear Items/Page:    Sort:
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:15/0  |  Submit date:2019/12/02
charge transfer  ESIPT  intramolecular hydrogen bond  solvent polarity  
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:8/0  |  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:11/0  |  Submit date:2019/06/20
charge redistribution  ESIPT  hydrogen bond  transition state