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Ab initio and semi-empirical computational studies on 5-hydroxy-4-methyl-5,6-di-pyridin-2-yl-4,5-dihydro-2H-[1,2,4]triazine-3-thione
Karakurt, Tuncay; Dincer, Muharrem; Cukurovali, Alaaddin; Yilmaz, Ibrahim (Elsevier, 2011)The title compound, 5-hydroxy-4-methyl-5,6-di-pyridin-2-yl-4,5-dihydro-2H-[1,2,4]triazine-3-thione (C14H13N5OS), was prepared and characterized by electronic spectroscopy and single-crystal X-ray diffraction (XRD). The ... -
Ab initio and semi-empirical computational studies on 5-hydroxy-5,6-di-pyridin-2-yl-4,5-dihidro-2H-[1,2,4]triazine-3-thione
Karakurt, Tuncay; Dincer, Muharrem; Cukurovali, Alaaddin; Yilmaz, Ibrahim (Elsevier, 2012)The title compound, 5-hydroxy-5,6-di-pyridin-2-yl-4,5-dihidro-2H-[1,2,4]triazine-3-thione (C13H11 N5OS), was prepared and characterized by electronic spectroscopy and single-crystal X-ray diffraction (XRD). The compound ... -
Ab Initio and Semiempirical Computational Studies on 1-{(2E)-2-[(Aminocarbonothioyl)hydrazono]-2-(3-mesityl-3-methylcyclobutyl)ethyl}-pyrrolidine-2,5-dione
Karakurt, Tuncay; Dincer, Muharrem; Cukurovali, Alaaddin (Wiley-Blackwell, 2012)The molecular geometry, vibrational frequencies, and gauge including atomic orbital (GIAO) (1)wH- and C-13 NMR chemical shift values of the title compound in the ground state have been calculated using the Hartree-Fock ... -
Bazı endiperoksit, triazin ve schiff bazı gruplarını içeren bileşiklerin kristal ve moleküler yapılarının deneysel ve teorik yöntemlerle incelenmesi / Tuncay Karakurt; Danışman Muharrem Dinçer
Karakurt, Tuncay (Ondokuz Mayıs Üniversitesi, Fen Bilimleri Enstitüsü, 2012)Özet -
Molecular structure and vibrational bands and chemical shift assignments of 4-allyl-5-(2-hydroxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione by DFT and ab initio HF calculations
Karakurt, Tuncay; Dincer, Muharrem; Cetin, Ahmet; Sekerci, Memet (Pergamon-Elsevier Science Ltd, 2010)The title molecule, 4-allyl-5-(2-hydroxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (C11H11N3OS), was synthesized and characterized by IR-NMR spectroscopy and single-crystal X-ray diffraction. The compound crystallizes ... -
Novel aldehyde and thiosemicarbazone derivatives: Synthesis, spectroscopic characterization, structural studies and molecular docking studies
Karakurt, Tuncay; Tahtaci, Hakan; Subasi, Nuriye Tuna; Er, Mustafa; Agar, Erbil (Elsevier Science Bv, 2016)In this study our purpose is that, synthesis and characterization of compounds containing the aldehyde and thiosemicarbazone groups and comparison of the theoretical results with the experimental results. The structures ... -
Syntheses, spectral characterization, single crystal X-ray diffraction and computational in gas and solid phases studies on chloro- acetic acid N ' -(2-hydroxy-naphthalen- 1-ylmethylene)- N-[4-(3-methyl-3-phenyl-cyclobutyl)-thiazol-2-yl]-hydrazide
Karakurt, Tuncay; Dincer, Muharrem; Cukurovali, Alaaddin (Springer International Publishing Ag, 2020)In this study, the molecular structure of single crystal containing Schiff bases has been characterized by X-ray diffraction, NMR, IR and UV-Vis spectral techniques and compared with similar molecules in the literature. ... -
Tek kristal X ışınları kırınımı yöntemiyle C17H14N4O2,C28H16N2O2 ve C21H28N4=2S moleküllerinin kristal yapı çözümü / Tuncay Karakurt; Danışman Muharrem Dinçer.
Karakurt, Tuncay (Ondokuz Mayıs Üniversitesi, Fen Bilimleri Enstitüsü, 2003)Bu çalışmada, (C17H14N4O2) 1-Benzoil-3-metil-4-benzilidenamino-4,5-dihidro-1,2,4-triazol-5-on, (C28H16N2O2) 4,5-Bis(1-naftoxy)ftalonitril ve (C21H28N4O2S) 1-[(2E)-2- [(aminokarbonotiol)hidrazon]-2-(3-metil)-3-mesitilsikl ...
