How the change of the ligand from L = porphine, P2â, to L = P4-substituted porphine, P(P)42â, affects the electronic properties and the M-L binding energies for the first-row transition metals M = Sc-Zn: Comparative study
Keywords: خواص الکترونیکی; P4-substituted transition-metal-porphyrins; Density functional theory; Electronic properties; NBO analysis; Binding energies;