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 |
| 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 | ||
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| A_Density_Functional_Based_Molecular_Surface_Elect.pdf | 377.1Kb | |
