Yıl 2019, Cilt 2 , Sayı 2, Sayfalar 43 - 47 2019-12-16

Computational quantum theory methods especially Hartree-Fock (HF) and Density functional theory (DFT) plays an important role in physical chemistry and theoretical physics. Anthracene is an antihistamine and has medicinal value, that is why it is important to understanding its stability, reactivity and structure analysis. In this study, we optimize the energy band gaps using different basis sets for both DFT and HF methods. LanL2MB at DFT method was selected for the molecule. IR, NMR and UV were also investigated during the research.
Anthracene, Band gap energy, DFT, Hartree-Fock Theory
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Birincil Dil en
Konular Fizik, Uygulamalı
Bölüm Makaleler
Yazarlar

Orcid: 0000-0002-3983-4884
Yazar: İbrahim ISAH NASİDİ (Sorumlu Yazar)
Kurum: FIRAT UNIVERSITY
Ülke: Turkey


Tarihler

Başvuru Tarihi : 5 Aralık 2019
Kabul Tarihi : 10 Aralık 2019
Yayımlanma Tarihi : 16 Aralık 2019

Bibtex @araştırma makalesi { jphcfum655820, journal = {Journal of Physical Chemistry and Functional Materials}, issn = {2651-3080}, eissn = {2651-3080}, address = {}, publisher = {Niyazi BULUT}, year = {2019}, volume = {2}, pages = {43 - 47}, doi = {}, title = {A Theoretical Study on Anthracene Molecule}, key = {cite}, author = {Isah Nasi̇di̇, İbrahim} }
APA Isah Nasi̇di̇, İ . (2019). A Theoretical Study on Anthracene Molecule . Journal of Physical Chemistry and Functional Materials , 2 (2) , 43-47 . Retrieved from https://dergipark.org.tr/tr/pub/jphcfum/issue/50562/655820
MLA Isah Nasi̇di̇, İ . "A Theoretical Study on Anthracene Molecule" . Journal of Physical Chemistry and Functional Materials 2 (2019 ): 43-47 <https://dergipark.org.tr/tr/pub/jphcfum/issue/50562/655820>
Chicago Isah Nasi̇di̇, İ . "A Theoretical Study on Anthracene Molecule". Journal of Physical Chemistry and Functional Materials 2 (2019 ): 43-47
RIS TY - JOUR T1 - A Theoretical Study on Anthracene Molecule AU - İbrahim Isah Nasi̇di̇ Y1 - 2019 PY - 2019 N1 - DO - T2 - Journal of Physical Chemistry and Functional Materials JF - Journal JO - JOR SP - 43 EP - 47 VL - 2 IS - 2 SN - 2651-3080-2651-3080 M3 - UR - Y2 - 2019 ER -
EndNote %0 Journal of Physical Chemistry and Functional Materials A Theoretical Study on Anthracene Molecule %A İbrahim Isah Nasi̇di̇ %T A Theoretical Study on Anthracene Molecule %D 2019 %J Journal of Physical Chemistry and Functional Materials %P 2651-3080-2651-3080 %V 2 %N 2 %R %U
ISNAD Isah Nasi̇di̇, İbrahim . "A Theoretical Study on Anthracene Molecule". Journal of Physical Chemistry and Functional Materials 2 / 2 (Aralık 2019): 43-47 .
AMA Isah Nasi̇di̇ İ . A Theoretical Study on Anthracene Molecule. Journal of Physical Chemistry and Functional Materials. 2019; 2(2): 43-47.
Vancouver Isah Nasi̇di̇ İ . A Theoretical Study on Anthracene Molecule. Journal of Physical Chemistry and Functional Materials. 2019; 2(2): 43-47.