| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5395027 | Computational and Theoretical Chemistry | 2011 | 8 Pages |
Abstract
⺠In this article, effect of external electric field on a drug intermediate is studied. ⺠Variation of shape of LUMO and DFT based reactivity descriptors in presence of external electric fields are observed. ⺠Further, the maximum hardness and minimum electrophilicity principles are analyzed.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Babul Neog, Nabajit Sarmah, Rahul Kar, Pradip Kr. Bhattacharyya,