Yazar "Sahan, Emine" için listeleme
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An experimental and theoretical study on concomitant polymorphism of a dithiocarbonimidates derivate in a single space group
Inkaya, Ersin; Dincer, Muharrem; Sahan, Emine; Korkusuz, Elif; Yildirim, Ismail; Büyükgüngör, Orhan (Elsevier, 2013)The title organic dithiocarbonimidates derivate crystallizes in two different polymorphic modifications. The conformational differences between the two crystalline modifications lead to differences in crystal packing and ... -
Molecular structure and vibrational and chemical shift assignments of 6-(2-hydroxyethyl)-2,3,4-triphenyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one by DFT and ab initio HF calculations
Demir, Sibel; Dincer, Muharrem; Sahan, Emine; Korkusuz, Elif; Yildirim, Ismail (Elsevier Science Bv, 2011)The molecular geometry, vibrational frequencies, gauge including atomic orbital (CIAO) H-1 and C-13 chemical shift values and several thermodynamic parameters of 6-(2-hydroxyethyl)-2,3,4-triphenyl-2,6-dihydro-7H-pyrazolo ... -
Structure of 5-benzoyl-4-phenyl-2-chloropyrimidine studied by X-ray diffraction, DFT calculations, NMR and FT-IR spectra
Inkaya, Ersin; Dincer, Muharrem; Sahan, Emine; Yildirim, Ismail; Büyükgüngör, Orhan (Elsevier, 2012)In this work, 5-benzoyl-4-phenyl-2-chloropyrimidine (5B4P2CP) (C17H11ClN2O), was characterized by X-ray single crystal diffraction technique (XRD), IR-NMR spectroscopy and quantum chemical computational methods as both ... -
Synthesis, spectroscopic and structural characterization of 5-benzoyl-4-phenyl-2-methylthio-1H-pyrimidine with theoretical calculations using density functional theory
Inkaya, Ersin; Dincer, Muharrem; Sahan, Emine; Yildirim, Ismail (Pergamon-Elsevier Science Ltd, 2013)In this paper, we will report a combined experimental and theoretical investigation of the molecular structure and spectroscopic parameters (FT-IR, H-1 NMR, C-13 NMR) of 5-benzoyl-4-phenyl-2-methylthio-1H-pyrimidine. The ...
