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https://avcollege.digitallibrary.co.in/handle/123456789/240| Title: | Effect of external electric field on drug-guanine adduct: A conceptual density functional theory study |
| Authors: | Bhattacharyya, Pradip Kumar Neog, Babul Sarmah, Nabajit |
| Keywords: | Drug-DNA interaction, Density functional theory, reactivity descriptors, mustine. |
| Issue Date: | 2-Apr-2014 |
| Publisher: | Arya Vidyapeeth College |
| Abstract: | Interaction energy between mustine and guanine have been studied in presence of external electric field using conceptual density functional theory (DFT) at B3LYP/6-31+G(d) and B3LYP/6-311++G(d,p) level of theories. Apart from that effect of electric field on the G and H of the mustine-guanine adduct formation process was studied. Stability of the adduct was examined using DFT based reactivity descriptors in presence of electric fields. |
| URI: | http://avcollege.digitallibrary.co.in/handle/123456789/240 |
| Appears in Collections: | Research Journals |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| 2014 D.pdf | Page [1-12] | 415.46 kB | Adobe PDF |  View/Open |
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