Density functional theory characterization of phosphate and...

Computational and Theoretical Chemistry 2013 / 2 Vol. 1005

Density functional theory characterization of phosphate and sulfate adsorption on Fe-(hydr)oxide: Reactivity, pH effect, estimation of Gibbs free energies, and topological analysis of hydrogen bonds

Acelas, Nancy Y., Mejia, Sol M., Mondragón, Fanor, Flórez, Elizabeth
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Volume:
1005
Language:
english
Journal:
Computational and Theoretical Chemistry
DOI:
10.1016/j.comptc.2012.11.002
Date:
February, 2013
File:
PDF, 1.13 MB
english, 2013
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