Please use this identifier to cite or link to this item:
http://hdl.handle.net/20.500.12358/26284
Title | A Density Functional Based Molecular Surface Electrostatic Potentials of Histamine H1-Agonists |
---|---|
Untitled | |
Abstract |
A computational analysis of the electrostatic potentials of nine histamine H1 agonists of various structural modifications has been carried out at the density functional B3P86/6-31G** level of theory. It focuses upon the relationships between these potentials and the H1-agonistic activities of the molecules through identifying any common features. Analysis of several statistically based properties of the surface potentials has revealed that H1-Agonism is a linear function with of the potential’s maxima, max, S |
Authors | |
Type | Journal Article |
Date | 2009 |
Published in | International Journal of ChemTech Research |
Series | Vol. 1, Issue. 4 |
Citation | |
Item link | Item Link |
License | ![]() |
Collections | |
Files in this item | ||
---|---|---|
A_Density_Functional_Based_Molecular_Surface_Elect.pdf | 377.1Kb |