Browsing by Author "Öğrüç Ildız, Gülce"
Now showing items 1-20 of 53
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5-Methylhydantoin: from isolated molecules in a low-temperature argon matrix to solid state polymorphs characterization
(Amer Chemical Soc, 1155 16th St, Nw, Washington, Dc 20036 USA, 2017-07-20)The molecular structure, vibrational spectra and photochemistry of 5-methylhydantoin (C4H6N2O2; 5-MH) were studied by matrix isolation infrared spectroscopy and theoretical calculations at the DFT(B3LYP)/6-311++G(d,p) ... -
A Multi-Technique Approach to The Study of Hydantoins: From Isolated Molecules to Polymorphs
(2019-07-22)Hydantoins have remarkable interest from the chemical and biological perspectives, and they have also been shown to receive widespread applications in medicine, agriculture and chemical industry. They have been clinically ... -
Conformational Analysis And Vibrational Spectroscopic Studies On Dapsone
(Maik Nauka/Interperiodica/Springer, 233 Spring St, New York, Ny 10013-1578 Usa, 2012-11)In this study, the theoretical conformation analysis of free dapsone has been performed by single point energy calculations at both semi-empirical PM3 and DFT/B3LYP-3-21G theory levels and three stable conformers were ... -
Conformational analysis and vibrational study of sulfanilamide
(Elsevier Science Bv, Po Box 211, 1000 Ae Amsterdam, Netherlands, 2013-01) -
Experimental, Ab İnitio And Density Functional Theory Studies On Sulfadiazine
(Elsevier Science Bv, Po Box 211, 1000 Ae Amsterdam, Netherlands, 2009-04-30)In the present study, combined experimental and computational study on molecular vibrations of free sulfadiazine has been reported. The theoretically possible stable conformers of free sulfadiazine molecule in electronically ... -
FT-IR spectroscopy and multivariate analysis as an auxiliary tool for diagnosis of mental disorders: Bipolar and schizophrenia cases
(Pergamon-Elsevier Science Ltd, The Boulevard, Langford Lane, Kidlington, Oxford Ox5 1Gb, England, 2016-01-05)In this study, a methodology based on Fourier-transform infrared spectroscopy and principal component analysis and partial least square methods is proposed for the analysis of blood plasma samples in order to identify ...
