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Yıl 2019, Cilt: 2 Sayı: 1, 40 - 42, 19.07.2019

Hunar Anwar

Öz

Kaynakça

  • [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.

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

Yıl 2019, Cilt: 2 Sayı: 1, 40 - 42, 19.07.2019

Hunar Anwar

Öz

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.

Anahtar Kelimeler

Hartree-Fock Density Functional Theory platinum(II)complex

Kaynakça

  • [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.
Toplam 1 adet kaynakça vardır.

Ayrıntılar

Birincil Dil İngilizce
Konular Metroloji,Uygulamalı ve Endüstriyel Fizik
Bölüm Makaleler
Yazarlar

Hunar Anwar

Yayımlanma Tarihi 19 Temmuz 2019
Gönderilme Tarihi 11 Temmuz 2019
Kabul Tarihi 17 Temmuz 2019
Yayımlandığı Sayı Yıl 2019 Cilt: 2 Sayı: 1

Kaynak Göster

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.
AMA Anwar H. INVESTIGATION OF HARTREE-FOCK AND DENSITY FUNCTIONAL THEORY OF PLATINUM COMPLEXES. Journal of Physical Chemistry and Functional Materials. Temmuz 2019;2(1):40-42.
Chicago Anwar, Hunar. “INVESTIGATION OF HARTREE-FOCK AND DENSITY FUNCTIONAL THEORY OF PLATINUM COMPLEXES”. Journal of Physical Chemistry and Functional Materials 2, sy. 1 (Temmuz 2019): 40-42.
EndNote Anwar H (01 Temmuz 2019) INVESTIGATION OF HARTREE-FOCK AND DENSITY FUNCTIONAL THEORY OF PLATINUM COMPLEXES. Journal of Physical Chemistry and Functional Materials 2 1 40–42.
IEEE H. Anwar, “INVESTIGATION OF HARTREE-FOCK AND DENSITY FUNCTIONAL THEORY OF PLATINUM COMPLEXES”, Journal of Physical Chemistry and Functional Materials, c. 2, sy. 1, ss. 40–42, 2019.
ISNAD Anwar, Hunar. “INVESTIGATION OF HARTREE-FOCK AND DENSITY FUNCTIONAL THEORY OF PLATINUM COMPLEXES”. Journal of Physical Chemistry and Functional Materials 2/1 (Temmuz 2019), 40-42.
JAMA Anwar H. INVESTIGATION OF HARTREE-FOCK AND DENSITY FUNCTIONAL THEORY OF PLATINUM COMPLEXES. Journal of Physical Chemistry and Functional Materials. 2019;2:40–42.
MLA Anwar, Hunar. “INVESTIGATION OF HARTREE-FOCK AND DENSITY FUNCTIONAL THEORY OF PLATINUM COMPLEXES”. Journal of Physical Chemistry and Functional Materials, c. 2, sy. 1, 2019, ss. 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):40-2.