An Atomic-Scale Understanding of the Solution Chemistry of Antimony(V): Insights from First-Principles Molecular Dynamics Simulation.
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DOI: 10.1021/acs.inorgchem.0c02162
Abstract: In this study, the structure, hydrolysis, and complexation of Sb(V) in aqueous solution has been elucidated by using first-principles molecular dynamics (FPMD) simulations. The results show that both antimonic acid and its deprotonated form have… read more here.
Keywords: molecular dynamics; understanding solution; chemistry; principles molecular ... See more keywords