| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394408 | Computational and Theoretical Chemistry | 2013 | 9 Pages |
Abstract
⺠The chemical reactivity suggests that the inner-sphere complexation occurs via a ligand exchange. ⺠Thermodynamic favorability of inner-outer sphere adsorption is directly related to the pH. ⺠Bidentate binuclear complexes are the most thermodynamically favorable mode of adsorption. ⺠The hydrogen bonds were classified and characterized using the QCT method. ⺠OHâ¯O hydrogen bonds nature is electrostatic in all structures.
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Physical and Theoretical Chemistry
Authors
Nancy Y. Acelas, Sol M. Mejia, Fanor Mondragón, Elizabeth Flórez,