Oxidation states of binary oxides from data analytics of the electronic structure
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DOI: 10.1016/j.commatsci.2019.01.046
Abstract: Abstract Despite their simplicity, the concepts of oxidation states (OS) and Bader charge are widely used in the analysis of experimental data and theoretical calculations for gaining physical and chemical insights. However, a connection between… read more here.
Keywords: data analytics; bader charge; oxides data; oxidation states ... See more keywords