Journal of Physical Chemistry and Functional Materials

Journal of Physical Chemistry and Functional Materials

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

Yazarlar: Hunar ANWAR

Cilt 2 , Sayı 1 , 2019 , Sayfalar 40 - 42

Konular:Fizik, Uygulamalı

Anahtar Kelimeler:Hartree-Fock,Density Functional Theory,Platinum(II)complex

Özet: 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.


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BibTex
KOPYALA
@article{2019, title={INVESTIGATION OF HARTREE-FOCK AND DENSITY FUNCTIONAL THEORY OF PLATINUM COMPLEXES}, volume={2}, number={40–42}, publisher={Journal of Physical Chemistry and Functional Materials}, author={Hunar ANWAR}, year={2019} }
APA
KOPYALA
Hunar ANWAR. (2019). INVESTIGATION OF HARTREE-FOCK AND DENSITY FUNCTIONAL THEORY OF PLATINUM COMPLEXES (Vol. 2). Vol. 2. Journal of Physical Chemistry and Functional Materials.
MLA
KOPYALA
Hunar ANWAR. INVESTIGATION OF HARTREE-FOCK AND DENSITY FUNCTIONAL THEORY OF PLATINUM COMPLEXES. no. 40–42, Journal of Physical Chemistry and Functional Materials, 2019.