The electronic structure of vanadium and molybdenum monoxides have been studied by means of the DFT method, with special attention being paid to bonding characteristics in the oxides. Various physical properties of neutral and ionized molecules are discussed in order to understand their reactivity and catalytic properties. © 1995.
Broclawik, E. (1995). DFT description of structure and bonding in transition metal oxides. Catalysis Today, 23(4), 379–382. https://doi.org/10.1016/0920-5861(94)00152-R