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On the aqueous solvation of AsO(OH)3 vs. As(OH)3. Born–Oppenheimer molecular dynamics density functional theory cluster studies

While arsenous acid, As(OH)3, has been the subject of a plethora of studies due to its worldwide ubiquity and its toxicity, pentavalent As in the form of arsenic acid, AsO(OH)3, has recently been found in rivers in central Mexico as the most abundant naturally occurring arsenic species. To better understand the sol

Authors:   A. Ramírez-Solís; J. I. Amaro-Estrada; C. I. León-Pimentel; J. Hernández-Cobos; S. E. Garrido-Hoyos; H. Saint-Martin
Journal:   Physical Chemistry Chemical Physics
DOI:   10.1039/C8CP01673A
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  • density functional theory
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