Optimized structures from "Unveiling the aqueous solution chemistry of vanadium (IV/V) with 8-hydroxyquinoline-2-carboxylic acid: chemical speciation and multi-technique characterization of their complexes"

V4 - Global minima obtained after the new ranking at B97X-3c level for [VO(8-HQA) x (H2O)n] x (H2O)6-n complex: with the (a) COO‒-binding or (b) not binding oxidovanadium(IV) V5 - Global minima obtained after the new ranking at B97X-3c level for [VO2(8-HQA) x (H2O)n]‒ x (H2O)4-n: with the (a) COO‒ binding or (b) not binding dioxidovanadium(V)