DICP OpenIR

Browse/Search Results:  1-4 of 4 Help

Selected(0)Clear Items/Page:    Sort:
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:16/0  |  Submit date:2019/06/20
ESIPT  Molecular electrostatic potential surface  Frontier molecular orbitals  Potential-energy curves  
Investigation of Binding Features: Effects on the Interaction between CYP2A6 and Inhibitors 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2010, 卷号: 31, 期号: 9, 页码: 1822-1831
Authors:  Ai, Chunzhi;  Li, Yan;  Wang, Yonghua;  Li, Wei;  Dong, Peipei;  Ge, Guangbo;  Yang, Ling;  Yang L(杨凌)
Favorite  |  View/Download:265/0  |  Submit date:2010/11/30
Cyp2a6-ligand Interaction  Docking  Molecular Electrostatic Potential  Molecular Lipophilic Potential  Orbital Energies  
Insight into the effects of chiral isomers quinidine and quinine on CYP2D6 inhibition 期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2009, 卷号: 19, 期号: 3, 页码: 803-806
Authors:  Ai, Chunzhi;  Li, Yan;  Wang, Yonghua;  Chen, Yadong;  Yang, Ling
Favorite  |  View/Download:10/0  |  Submit date:2015/11/12
Stereoisomer  Cyp2d6  Inhibitor  Comfa  Comsia  Docking  Molecular Electrostatic Potential  
Enhancement on the hydrothermal stability of ZSM-5 zeolites by the cooperation effect of exchanged lanthanum and phosphoric species 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2005, 卷号: 737, 期号: 2-3, 页码: 271-276
Authors:  Yang, G;  Zhuang, JQ;  Wang, Y;  Zhou, DH;  Yang, MQ;  Liu, XC;  Han, YW;  Bao, XH
Adobe PDF(380Kb)  |  Favorite  |  View/Download:381/140  |  Submit date:2010/11/30
Zeolite  Hydrothermal Stability  Density Functional  Electrostatic Potential  Cooperation