Yıl 2019, Cilt 2 , Sayı 2, Sayfalar 66 - 72 2019-12-16

Now-days the computational quantum theory especially Hartree-Fock (HF) and Density functional theory (DFT) is an important role in physical chemistry. Dopamine is a hormone neurotransmitter, why understanding the stability, reactivity and structure analysis are important. In this study, before calculation quantum mechanical we optimize the energy band gaps using different basis sets for both DFT and HF methods, then we select 6-31G* at DFT method for our dopamine molecule. IR and NMR spectra with some reference are investigated according to this method.
Dopamine, Band gap energy, DFT, Hartree-Fock Theory
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Birincil Dil en
Konular Fizik, Uygulamalı
Bölüm Makaleler
Yazarlar

Yazar: Lana AHMED (Sorumlu Yazar)
Kurum: FIRAT UNIVERSITY
Ülke: Turkey


Orcid: 0000-0001-7468-516X
Yazar: Rebaz OMER
Kurum: FIRAT UNIVERSITY
Ülke: Turkey


Tarihler

Başvuru Tarihi : 2 Aralık 2019
Kabul Tarihi : 11 Aralık 2019
Yayımlanma Tarihi : 16 Aralık 2019

Bibtex @konferans bildirisi { jphcfum653889, journal = {Journal of Physical Chemistry and Functional Materials}, issn = {2651-3080}, eissn = {2651-3080}, address = {}, publisher = {Niyazi BULUT}, year = {2019}, volume = {2}, pages = {66 - 72}, doi = {}, title = {A Theoretical Study on Dopamine Molecule}, key = {cite}, author = {Ahmed, Lana and Omer, Rebaz} }
APA Ahmed, L , Omer, R . (2019). A Theoretical Study on Dopamine Molecule . Journal of Physical Chemistry and Functional Materials , 2 (2) , 66-72 . Retrieved from https://dergipark.org.tr/tr/pub/jphcfum/issue/50562/653889
MLA Ahmed, L , Omer, R . "A Theoretical Study on Dopamine Molecule" . Journal of Physical Chemistry and Functional Materials 2 (2019 ): 66-72 <https://dergipark.org.tr/tr/pub/jphcfum/issue/50562/653889>
Chicago Ahmed, L , Omer, R . "A Theoretical Study on Dopamine Molecule". Journal of Physical Chemistry and Functional Materials 2 (2019 ): 66-72
RIS TY - JOUR T1 - A Theoretical Study on Dopamine Molecule AU - Lana Ahmed , Rebaz Omer Y1 - 2019 PY - 2019 N1 - DO - T2 - Journal of Physical Chemistry and Functional Materials JF - Journal JO - JOR SP - 66 EP - 72 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 Dopamine Molecule %A Lana Ahmed , Rebaz Omer %T A Theoretical Study on Dopamine Molecule %D 2019 %J Journal of Physical Chemistry and Functional Materials %P 2651-3080-2651-3080 %V 2 %N 2 %R %U
ISNAD Ahmed, Lana , Omer, Rebaz . "A Theoretical Study on Dopamine Molecule". Journal of Physical Chemistry and Functional Materials 2 / 2 (Aralık 2019): 66-72 .
AMA Ahmed L , Omer R . A Theoretical Study on Dopamine Molecule. Journal of Physical Chemistry and Functional Materials. 2019; 2(2): 66-72.
Vancouver Ahmed L , Omer R . A Theoretical Study on Dopamine Molecule. Journal of Physical Chemistry and Functional Materials. 2019; 2(2): 66-72.