Localised Orbital Bonding Analysis (LOBA) is a quick and easy way to determine oxidation states and understand the bonding in molecular systems. It's available in both Q-Chem (www.q-chem.com) and the MultiWfn package (http://sobereva.com/multiwfn/)
Related Publications
Modeling Electron Transfers Using Quasidiabatic Hartree-Fock States
(DOI: 10.1021/acs.jctc.8b00379)
LOBA: a localized orbital bonding analysis to calculate oxidation states, with application to a model water oxidation catalyst.
(DOI: 10.1039/b915364k)