Results: 1
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.5c00482OpenAccess: LinkKeywords: Chemical bonding, Method development, Real-space analysis