Fig. 8. Frontier quasi-restricted orbitals (QROs) calculated for (a) (^AdFL)Ni(NMes) (3), and (b) (^AdFL)Ni(NAd) (4). QROs were generated from spin-unrestricted B3LYP orbitals produced using the CP(PPP) basis set on Ni and the ZORA-def2-TZVP(-f) basis set on all other atoms. Orbitals are plotted at an isovalue of 0.03 au.