| Comparison of DFT functionals for prediction of band gap of conjugated polymers and effect of HF exchange term percentage and basis set on the performance H Arı, Z Büyükmumcu Computational Materials Science 138, 70-76, 2017 | 53 | 2017 |
| Vibrational and theoretical analysis of pentyl-4-benzoyl-1-[2, 4-dinitrophenyl]-5-phenyl-1H-pyrazole-3-carboxylate H Arı, Z Büyükmumcu, T Özpozan, İÖ İlhan, Ö Bahadır Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 110, 193-204, 2013 | 18 | 2013 |
| Novel acid mono azo dye compound: Synthesis, characterization, vibrational, optical and theoretical investigations of 2-[(E)-(8-hydroxyquinolin-5-yl)-diazenyl]-4, 5 … M Saçmacı, HK Çavuş, H Arı, R Şahingöz, T Özpozan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 97, 88-99, 2012 | 17 | 2012 |
| Monomeric or dimeric? A theoretical and vibrational spectroscopic approach to the structural stability of 5-(4-metoxy benzoyl)-6-(4-metoxyphenyl)-3-methyl-2-thioxo-2, 3 … H Arı, T Özpozan, Y Kabacalı, M Saçmacı Journal of Molecular Structure 1222, 128848, 2020 | 9 | 2020 |
| FTIR, Raman and DFT studies on 2-[4-(4-ethylbenzamido) phenyl] benzothiazole and 2-[4-(4-nitrobenzamido) phenyl] benzothiazole supported by differential scanning calorimetry O Unsalan, H Arı, C Altunayar-Unsalan, K Bolelli, M Boyukata, I Yalcin Journal of Molecular Structure 1218, 128454, 2020 | 9 | 2020 |
| Theoretical and vibrational spectroscopic approach to keto-enol tautomerism in methyl-2-(4-methoxybenzoyl)-3-(4-methoxyphenyl)-3-oxopropanoylcarbamate H Arı, T Özpozan, Z Büyükmumcu, Y Kabacalı, M Saçmaci Journal of Molecular Structure 1122, 48-61, 2016 | 8 | 2016 |
| Micro-Raman, Mid-IR, Far-IR and DFT studies on 2-[4-(4-Fluorobenzamido) phenyl] benzothiazole O Unsalan, Y Sert, H Ari, A Simão, A Yilmaz, M Boyukata, O Bolukbasi, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 125, 414-421, 2014 | 8 | 2014 |
| Nonionic and zwitterionic forms of glycylglycylarginine as a part of spider silk protein: Spectroscopic and theoretical study H Arı, T Özpozan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 152, 557-571, 2016 | 7 | 2016 |
| Preparation of Organic/Inorganic Hybrid Materials Using Agregates of Poly {2-methyl-N-[2-(phenylthio) phenyl] Acrylamide-co-2-(Trimethylsyloxy) Ethyl Methacrylate} as Precursor … H Ari, C Soykan, T Özpozan Journal of Macromolecular Science, Part A 50 (10), 1022-1041, 2013 | 7 | 2013 |
| Vibrational spectroscopic study of isotopic effect on TcX3+ and TcX3OH (X: O, S and Se) by DFT H Arı, Z Büyükmumcu, T Özpozan Journal of Molecular Structure 1165, 259-266, 2018 | 4 | 2018 |
| Structural, energetics and vibrational analyses of monomeric and dimeric forms of 2-deoxy-2-(3-methyl-3-nitrosourea)-1-D-glucopyranose H Arı, D Pandır, M Böyükata Journal of Molecular Structure 1229, 129588, 2021 | 3 | 2021 |
| Synthesis, spectral and theoretical (DFT) investigations of 4, 6-diphenyl-6-hydroxy-1-{[(1Z)-1-phenyl ethylidene] amino} tetrahydropyrimidine-2 (1H)-one H Arı, T Özpozan, Z Büyükmumcu, N Akın, İÖ İlhan Journal of Molecular Structure 1250, 131820, 2022 | 2 | 2022 |
| Electrochemical oligomerization of selenophene and band structure of polyselenophene: A density functional theory study H Arı, Ö Mıhçıokur, Z Büyükmumcu, H Mıhçıokur, T Özpozan Computational Materials Science 154, 65-74, 2018 | 1 | 2018 |
| DFT CALCULATIONS IN MONOMERIC AND DIMERIC FORMS OF N-BENZYLMALEIMIDE (NBM) COMBINED WITH VIBRATIONAL SPECTROSCOPIC PARAMETERS ARI Hatice Eskişehir Teknik Üniversitesi Bilim ve Teknoloji Dergisi B-Teorik Bilimler …, 2023 | | 2023 |
