Year 2019, Volume 2 , Issue 1, Pages 40 - 42 2019-07-19

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

Hunar ANWAR [1]


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.

Hartree-Fock, Density Functional Theory, platinum(II)complex
  • [1] Krylova, L., Kovtunova, L., and Romanenko, G., 2008. Pt (II) and Pd (II) Complexes with β-Alanine, Bioinorganic chemistry and applications, 2008.[2] Vezzu, D.A., Lu, Q., Chen, Y.-H., and Huo, S., 2014. Cytotoxicity of cyclometalated platinum complexes based on tridentate NCN and CNN-coordinating ligands: Remarkable coordination dependence, Journal of inorganic biochemistry, 134, 49-56.[3] Ajeel, F.N., Khudhair, A.M., and Mohammed, A.A., 2015. Density functional theory investigation of the physical properties of dicyano pyridazine molecules, International Journal of Science and Research, 4(4), 2334-2339.[4] Chermette, H., 1999. Chemical reactivity indexes in density functional theory, Journal of Computational Chemistry, 20(1), 129-154.[5] Sherrill, C.D., 2000. An introduction to Hartree-Fock molecular orbital theory, School of Chemistry and Biochemistry Georgia Institute of Technology.[6] Hantsch, F.C., 2012. The Hartree-Fock equations in quantum mechanics.[7] Iwakiri, A., Konno, Y., and Shinozaki, K., 2019. Determination of excimer emission quantum yield of Pt (dpb) Cl (dpbH= 1, 3-di (2-pyridyl) benzene and its analogues in solution, Journal of Luminescence, 207, 482-490.
Primary Language en
Subjects Physics, Applied
Journal Section Articles
Authors

Orcid: 1234-1234-4321-4321
Author: Hunar ANWAR (Primary Author)
Country: Iraq


Dates

Application Date : July 11, 2019
Acceptance Date : July 17, 2019
Publication Date : July 19, 2019

Bibtex @research article { jphcfum590751, journal = {Journal of Physical Chemistry and Functional Materials}, issn = {2651-3080}, address = {}, publisher = {Niyazi BULUT}, year = {2019}, volume = {2}, pages = {40 - 42}, doi = {}, title = {INVESTIGATION OF HARTREE-FOCK AND DENSITY FUNCTIONAL THEORY OF PLATINUM COMPLEXES}, key = {cite}, author = {ANWAR, Hunar} }
APA ANWAR, H . (2019). INVESTIGATION OF HARTREE-FOCK AND DENSITY FUNCTIONAL THEORY OF PLATINUM COMPLEXES. Journal of Physical Chemistry and Functional Materials , 2 (1) , 40-42 . Retrieved from https://dergipark.org.tr/en/pub/jphcfum/issue/45047/590751
MLA ANWAR, H . "INVESTIGATION OF HARTREE-FOCK AND DENSITY FUNCTIONAL THEORY OF PLATINUM COMPLEXES". Journal of Physical Chemistry and Functional Materials 2 (2019 ): 40-42 <https://dergipark.org.tr/en/pub/jphcfum/issue/45047/590751>
Chicago ANWAR, H . "INVESTIGATION OF HARTREE-FOCK AND DENSITY FUNCTIONAL THEORY OF PLATINUM COMPLEXES". Journal of Physical Chemistry and Functional Materials 2 (2019 ): 40-42
RIS TY - JOUR T1 - INVESTIGATION OF HARTREE-FOCK AND DENSITY FUNCTIONAL THEORY OF PLATINUM COMPLEXES AU - Hunar ANWAR Y1 - 2019 PY - 2019 N1 - DO - T2 - Journal of Physical Chemistry and Functional Materials JF - Journal JO - JOR SP - 40 EP - 42 VL - 2 IS - 1 SN - 2651-3080- M3 - UR - Y2 - 2019 ER -
EndNote %0 Journal of Physical Chemistry and Functional Materials INVESTIGATION OF HARTREE-FOCK AND DENSITY FUNCTIONAL THEORY OF PLATINUM COMPLEXES %A Hunar ANWAR %T INVESTIGATION OF HARTREE-FOCK AND DENSITY FUNCTIONAL THEORY OF PLATINUM COMPLEXES %D 2019 %J Journal of Physical Chemistry and Functional Materials %P 2651-3080- %V 2 %N 1 %R %U
ISNAD ANWAR, Hunar . "INVESTIGATION OF HARTREE-FOCK AND DENSITY FUNCTIONAL THEORY OF PLATINUM COMPLEXES". Journal of Physical Chemistry and Functional Materials 2 / 1 (July 2019): 40-42 .
AMA ANWAR H . INVESTIGATION OF HARTREE-FOCK AND DENSITY FUNCTIONAL THEORY OF PLATINUM COMPLEXES. Journal of Physical Chemistry and Functional Materials. 2019; 2(1): 40-42.
Vancouver ANWAR H . INVESTIGATION OF HARTREE-FOCK AND DENSITY FUNCTIONAL THEORY OF PLATINUM COMPLEXES. Journal of Physical Chemistry and Functional Materials. 2019; 2(1): 42-40.