Decoding the role of encapsulated ions in the electronic and magnetic properties of mixed-valence polyoxovanadate capsules {X@V22O54} (X = ClO4-, SCN-, VO2F2-): a combined theoretical approach.
Notario-Estévez A, Kozłowski P, Linnenberg O, de Graaf C, López X, Monakhov KY.
Notario-Estévez A, et al. Among authors: kozlowski p.
Phys Chem Chem Phys. 2018 Jul 14;20(26):17847-17858. doi: 10.1039/c8cp02669f. Epub 2018 Jun 20.
Phys Chem Chem Phys. 2018.
PMID: 29923560
The results are compared to those obtained for another member of this family with X = VO(2)F(2)(-) (C(2v), 3) (see P. Kozlowski et al., Phys. Chem. Chem. Phys., 2017, 19, 29767-29771), for which complementary data are also acquired. ...
The results are compared to those obtained for another member of this family with X = VO(2)F(2)(-) (C(2v), 3) (see P. Kozlowski …