INVESTIGATION OF HARTREE-FOCK AND DENSITY FUNCTIONAL THEORY OF PLATINUM COMPLEXES

Abstract

In this study, we investigate both hatree-fock and density functional theory of platinum complexes in detail. Hence, before quantum mechanical calculations were optimized using various methods and basis sets. For appropriate calculation level, according to the correlation between the calculated and experimental, we found out at M062X / CEP-31G for our platinum(II)complex. Finally, we have compared all our result with the data available in the literature.