DICP OpenIR

Browse/Search Results:  1-10 of 25 Help

Selected(0)Clear Items/Page:    Sort:
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  
Performance of time-dependent density functional theory on twisted intramolecular charge transfer state of emerging visible light photoswitches 期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2019, 卷号: 371, 页码: 336-340
Authors:  Liu, Yan;  Luo, Jian
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
Molecular motor  Molecular machine  Photoisomerization  Hula twist  Benchmark  
Elaborating the excited state behavior of 2-(4-N,N-dimethylaminophenyl)-imidazo[4,5-c]pyridine coupling with methanol solvent 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2018, 卷号: 31, 期号: 3
Authors:  Yang, Dapeng;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli
Favorite  |  View/Download:0/0  |  Submit date:2019/06/20
Electronic Spectra  Hydrogen Bond  Ir Spectra  Potential Energy Curves  
DFT/TDDFT Study on the Sensing Mechanism of a Fluorescent Probe for Hydrogen Sulfide: Excited State Intramolecular Proton Transfer Coupled Twisted Intramolecular Charge Transfer 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 28, 页码: 5245-5256
Authors:  Li, Yang;  Chu, Tian-Shu
Favorite  |  View/Download:11/0  |  Submit date:2017/12/19
DFT/TDDFT Study on the Sensing Mechanism of a Fluorescent Probe for Hydrogen Sulfide: Excited State Intramolecular Proton Transfer Coupled Twisted Intramolecular Charge Transfer 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 28, 页码: 5245-5256
Authors:  Li, Yang;  Chu, Tian-Shu
Favorite  |  View/Download:10/0  |  Submit date:2017/12/19
Substantial Intramolecular Charge Transfer Induces Long Emission Wavelengths and Mega Stokes Shifts in 6-Aminocoumarins 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: 121, 页码: 13274-13279
Authors:  Liu, Xiaogang;  Cole, Jacqueline M.;  Xu, Zhaochao
Favorite  |  View/Download:12/0  |  Submit date:2017/10/29
The new competitive mechanism of hydrogen bonding interactions and transition process for the hydroxyphenyl imidazo [1, 2-a] pyridine in mixed liquid solution 期刊论文
SCIENTIFIC REPORTS, 2017, 卷号: 7
Authors:  Li, Yongqing;  Yang, Yunfan;  Ding, Yong
Favorite  |  View/Download:11/0  |  Submit date:2017/10/29
Excited state proton transfer coupled with twisted intermolecular charge transfer for N,N-dimethylanilino-1,3-diketone in high polar acetonitrile solvent 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2016, 卷号: 220, 页码: 735-741
Authors:  Zhao, Jinfeng;  Yang, Yang
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20
Hydrogen Bond  Esipt  Tict  Frontier Molecular Orbitals  Potential Energy Surfaces  
Photoinduced coupled twisted intramolecular charge transfer and excited-state proton transfer via intermolecular hydrogen bonding: A DFT/TD-DFT study 期刊论文
CHEMICAL PHYSICS LETTERS, 2015, 卷号: 610—611, 期号: 1, 页码: 179
Authors:  Wang DD(王丹丹);  RuiLü;  Yuan MH(袁明虎);  Chen JS(陈俊生);  Feng LQ(冯立强);  AipingFu;  FenghuiTian;  AntónioJ.C.Varandasd;  Chu TS(楚天舒)
Adobe PDF(1579Kb)  |  Favorite  |  View/Download:114/48  |  Submit date:2015/11/16
Intermolecular hydrogen bond and twisted intramolecular charge transfer in excited state of fast violet B (FVB) in methanol solution 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2014, 卷号: 125, 期号: 1, 页码: 67
Authors:  Chai S(柴硕);  Shu-LinCong
Adobe PDF(1014Kb)  |  Favorite  |  View/Download:28/15  |  Submit date:2015/11/16