Theoretical study of the optimal As(OH)3
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A. Ramírez-Solís; M. Ho; J. Hernández-Cobos; I. Ortega-Blake
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Article
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2011
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Elsevier
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English
⚖ 675 KB
We present a detailed theoretical study of the interaction of arsenious acid with a water molecule, for which a singular triply hydrogen-bonded complex is found. We focus on the accurate determination of the interaction energy and analyze the electronic density and atomic charges through the Atoms-i