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pro vyhledávání: '"Nihal KUŞ"'
Autor:
Nihal KUŞ
Publikováno v:
Volume: 9, Issue: Iconat Special Issue 2021 85-93
Eskişehir Teknik Üniversitesi Bilim ve Teknoloji Dergisi B-Teorik Bilimler
Eskişehir Teknik Üniversitesi Bilim ve Teknoloji Dergisi B-Teorik Bilimler
Quinolines are the essence of many natural products, drugs and were found in synthetic compounds. Quinoline derivatives containing a quinoline ring are used in a variety of biological and pharmaceutical activities, e.g. anticancer, antibacterial, ant
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::de859a041634643f782c54fde7709b21
https://doi.org/10.20290/estubtdb.1015151
https://doi.org/10.20290/estubtdb.1015151
Autor:
Nihal Kuş
Publikováno v:
Volume: 21, Issue: 63-73
Eskişehir Technical University Journal of Science and Technology A-Applied Sciences and Engineering
Eskişehir Technical University Journal of Science and Technology A-Applied Sciences and Engineering
In this work, structures of the conformations of the thiazole-5-carboxylic acid (T5CA) were studied using density functional theory (DFT) with B3LYP/6-311++G(d,p) level of approximation. From calculations of the potential energy distribution dependin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8b4cf7999ab9c4492ac40bc3dec45069
https://doi.org/10.18038/estubtda.820152
https://doi.org/10.18038/estubtda.820152
Autor:
Nihal Kuş
Publikováno v:
Volume: 21, Issue: 55-62
Eskişehir Technical University Journal of Science and Technology A-Applied Sciences and Engineering
Eskişehir Technical University Journal of Science and Technology A-Applied Sciences and Engineering
Jasmonic acid, also known as jasmonates, (JA), a molecule formed by the oxygenation of fatty acids, is an organic compound and is found in many plants, especially jasmine. The conformation of this compound is found according to the location in the ch
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::df930c97a3f05bc55edab5371e02a2a4
https://doi.org/10.18038/estubtda.820129
https://doi.org/10.18038/estubtda.820129
Autor:
Nihal Kuş, Saliha Ilican
Publikováno v:
Karadeniz Fen Bilimleri Dergisi. 10:150-161
In this study, the optimized Phenyltrichlorosilane (PTS, C6H5SiCl3) using Density Functional Theory (DFT) with B3LYP/6-311++G(d,p) level was studied using natural bond orbital (NBO) theory with NBO 3.1, as integrated in Gaussian09 program. It was det
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6db7c847104635ff853c121ef2e67e83
https://doi.org/10.31466/kfbd.695294
https://doi.org/10.31466/kfbd.695294
Cis ve Trans Formundaki 5-Floropirimidin-2-Karboksilik Asit Molekülünün DFT/TD-DFT ve NBO Analizleri
Autor:
Nihal Kuş, Saliha Ilican
Publikováno v:
Volume: 9, Issue: 1 120-129
Bitlis Eren Üniversitesi Fen Bilimleri Dergisi
Bitlis Eren Üniversitesi Fen Bilimleri Dergisi
5-Floropirimidin-2-karboksilik asit molekülünün kararlı durumları, baz setlerine difüz fonksiyonları eklenerek, DFT/B3LYP fonksiyonu ile hesaplandı. C-C-O-H dihedral açısına bağlı olarak molekülün minimum düzeyde cis ve trans olarak i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b8623e0a6ee93e6cee50d2d7643f7ea8
https://doi.org/10.17798/bitlisfen.589441
https://doi.org/10.17798/bitlisfen.589441
Autor:
Saliha Ilican, Nihal Kuş
Publikováno v:
Volume: 20, Issue: 99-104
Eskişehir Technical University Journal of Science and Technology A-Applied Sciences and Engineering
Eskişehir Technical University Journal of Science and Technology A-Applied Sciences and Engineering
In this work, proline (Pro) was studied theoretically at the Density Functional Theory (DFT) methods with B3LYP/6-311++G(d,p) level and four conformers with minimum energy were found. The calculations were done for these conformers. Electronic energi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fbf1a69f3843422f4201c95644e65641
https://doi.org/10.18038/estubtda.642332
https://doi.org/10.18038/estubtda.642332
Autor:
Nihal Kuş, Saliha Ilican
Publikováno v:
Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi, Vol 23, Iss 3, Pp 797-804 (2019)
Volume: 23, Issue: 3 797-804
Volume: 23, Issue: 3 797-804
In this study, the conformations of 4-fluorobenzylalcohol (4FBA) molecule were studied by using DFT/B3LYP/6-311++G(d,p) method.Optimized geometry and energies of compound were determined. 4FBA has twoconformers (4FBA-I and 4FAB-II) with minimal energ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eec533917c358808be4c6b44be340a59
http://dergipark.org.tr/tr/download/article-file/868415
http://dergipark.org.tr/tr/download/article-file/868415
Autor:
Nihal Kuş
Publikováno v:
Anadolu University Journal of Science and Technology. A : Applied Sciences and Engineering, Vol 18, Iss 2, Pp 315-322 (2017)
Volume: 18, Issue: 2 315-322
Anadolu University Journal of Science and Technology A-Applied Sciences and Engineering
Volume: 18, Issue: 2 315-322
Anadolu University Journal of Science and Technology A-Applied Sciences and Engineering
2-Chloro-6-fluorobenzoic acid (ClFBA) was studied by low temperature solid state FTIR spectroscopy in a Xe matrix and complemented by DFT(B3LYP)/6-311++G(d,p) calculations. The ClFBA molecule exists in three different conformers, according to the the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::75e067f1a0670d8f0f9ca4c0474b9cc3
http://dergipark.gov.tr/aubtda/issue/29641/289194?publisher=anadolu
http://dergipark.gov.tr/aubtda/issue/29641/289194?publisher=anadolu
Publikováno v:
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 171:207-212
WOS: 000385601300027
PubMed ID: 27532226
The structure, infrared spectrum, barrier to internal rotation, and photochemistry of 4-pyridinecarboxaldehyde (4PCA) were studied by low-temperature (10 K) matrix isolation infrared spectroscopy and
PubMed ID: 27532226
The structure, infrared spectrum, barrier to internal rotation, and photochemistry of 4-pyridinecarboxaldehyde (4PCA) were studied by low-temperature (10 K) matrix isolation infrared spectroscopy and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b670421ae7fc6033a5c962d77581a010
https://doi.org/10.1016/j.saa.2016.08.002
https://doi.org/10.1016/j.saa.2016.08.002
Autor:
Nihal Kuş, Saliha Ilican
Publikováno v:
Volume: 20, Issue: 105-113
Eskişehir Technical University Journal of Science and Technology A-Applied Sciences and Engineering
Eskişehir Technical University Journal of Science and Technology A-Applied Sciences and Engineering
In this study, molecular structure of 1-ethyl-3-methylimidazolium cation (EMIM+) was undertaken at the DFT(B3LYP)/6-311++G(2d,2p) level of approximation using the GAUSSIAN 09 suit of programs. EMIM has two conformers (EMIM-1 and EMIM-2) with minimum
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1953fa538d114d08b3575c668a3cdd53
https://dergipark.org.tr/tr/pub/estubtda/issue/50600/644026
https://dergipark.org.tr/tr/pub/estubtda/issue/50600/644026
