Marcos M. Mason

Mar 23, 2023 | pubs.rsc.org | Shelby Hall |Monica Vasiliu |Eddy Lontchi |Marcos M. Mason

Prediction of the structures and heats of formation of MO2, MO3, and M2O5 for M = V, Nb, Ta, Pa† Eddy Lontchi, a   Marcos M. Mason, a   Monica Vasiliua  and  David A. Dixon *a   Abstract Structures for the mono-, di-, and tri-bridge isomers of M2O5 as well as those for the MO2 and MO3 fragments for M = V, Nb, Ta, and Pa were optimized at the density functional theory (DFT) level.