| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5384927 | Chemical Physics Letters | 2010 | 6 Pages |
Abstract
⺠Pyrazinamide is moderately reactive drug with high electron affinity and least HOMO-LUMO energy. ⺠Multiple loading of drug complexes onto f-SWNT distorts its structure and electronic properties. ⺠With functionalization of nanotube sidewalls, Frontier orbital get more localized. ⺠Binding energies are negative and decreases with increase in functionalization. ⺠Solvation phenomenon is spontaneous and solubility of complex increases with functionalization.
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Authors
Nabanita Saikia, Ramesh C. Deka,