The performance of density functional/Hartree-Fock hybrid methods: the bonding in cationic first-row transition metal methylene complexes

Density functional theory/Hartree-Fock hybrid methods have been applied to the cationic methylene complexes MCH2+ of the first-row transition metals (M = Sc-Cu). A comparison of the computed results with earlier high-level ab initio MO calculations and experimental data is presented in order to assess the reliability of such hybrid methods as a practical tool in organometallic chemistry.