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Gerard Comas-Vilà, Leila Pujal, Alberto Otero-de-la-Roza, Davide Tiana, Julia Contreras-Garcia, Pedro Salvador
Effective Oxidation State Analysis for Solids
J. Chem. Theory Comput., 2025, 21, 7075-7086
DOI: 10.1021/acs.jctc.5c00482
OpenAccess: Link
Keywords: Chemical bonding, Method development, Real-space analysis

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