Cobalt(ɪɪ) and nickel(ɪɪ) bis(chelate) complexes with (N, O, O)-tridentate azomethine ligands: a quantum chemical study of stereoisomers with hexa-, penta-, and tetracoordinate central atoms

Theoretical studies on the characterization of classical and non-classical C68 isomers and their newly synthesized derivatives by spectroscopy

“…The TPSSh functional 52 has been utilized successfully in an array of investigations for the mathematical calculation of the fourth-period metal compounds. [53][54][55] In addition, the pseudopotential basis set can be retained or removed when calculating the fourth-period metals. In this study, the stability of the system was compared when the metal Sc in the fullerene Sc 2 C 2 @C 2 -#6073 C 68 was calculated via or without the pseudopotential basis set.…”