| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5389576 | Chemical Physics Letters | 2006 | 7 Pages |
Abstract
Hydration of the fluoroquinolone antibiotic norfloxacin has been examined in B3LYP/6-31+Gâ calculations. The neutral and zwitterionic forms and their one-and two-water complexes have been optimized both as isolated molecules and within a solvation field simulated by the polarizable continuum model.
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Physical and Theoretical Chemistry
Authors
Graciela Pinto Vitorino, Gustavo D. Barrera, MarÃa Rosa Mazzieri, R.C. Jr., Daniel E. Bacelo,