On the aqueous solvation of AsO(OH)3vs. As(OH)3. Born–Oppenheimer molecular dynamics density functional theory cluster studies - Ramírez-Solís, A; Amaro-Estrada, J I; León-Pimentel, C I; Hernández-Cobos, J; Garrido-Hoyos, S E; Saint-Martin, H (Physical chemistry chemical physics : PCCP, 2018)
Keywords: Accuracy; Arsenic; Clusters; Coordination numbers; Density functional theory; Hydration; Hydrogen bonding; Molecular chains; Molecular dynamics; Solvation; Theory; Toxicity; Water; Water chemistry