Hatice Arı

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

Hatice Arı, Zeki Büyükmumcu · Computational Materials Science · 2017 · 71 citations

Materials Science, Engineering, Semiconducting Polymer +13

Vibrational and theoretical analysis of pentyl-4-benzoyl-1-[2,4-dinitrophenyl]-5-phenyl-1H-pyrazole-3-carboxylate

Hatice Arı, Zeki Büyükmumcu, Talat Özpozan et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 18 citations

Organic Chemistry, Theoretical Analysis, Chemistry +1

Novel acid mono azo dye compound: Synthesis, characterization, vibrational, optical and theoretical investigations of 2-[(E)-(8-hydroxyquinolin-5-yl)-diazenyl]-4,5-dimethoxybenzoic acid

Mustafa Saçmacı, Hatice Kanbur Çavuş, Hatice Arı et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2012 · 17 citations

Chemical Engineering, Engineering, Heterocyclic +6

FTIR, Raman and DFT studies on 2-[4-(4-ethylbenzamido)phenyl]benzothiazole and 2-[4-(4-nitrobenzamido)phenyl]benzothiazole supported by differential scanning calorimetry

Ozan Ünsalan, Hatice Arı, Cisem Altunayar‐Unsalan et al. · Journal of Molecular Structure · 2020 · 12 citations

Engineering, Differential Scanning Calorimetry, Natural Sciences +9

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-dihydropyrimidine-4(1H)-on

Hatice Arı, Talat Özpozan, Yiğit Kabacalı et al. · Journal of Molecular Structure · 2020 · 11 citations