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

Authors : Hunar Anwar

Pages : 40-42

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Publication Date : 2019-07-19

Article Type : Research

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.
Keywords : Hartree-Fock, Density Functional Theory, platinum(II)complex