Yazar "Alver, Özgür" için listeleme
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3-piperidino-propilamin molekülü ve bu moleküle ait bazı bileşiklerin spektroskopik özelliklerinin teorik ve deneysel incelenmesi
Alver, Özgür (Anadolu Üniversitesi, 2010)3-piperidino-propilamin (3-pipa) molekülüne ait, 13C, 1H, 15N, DEPT, COSY, HETCOR, INADEQUATE NMR, FT-IR, Raman ölçümleri ve titreşim işaretlemeleri ilk kez yapılmıştır. 3-pipa (C8H18N2) molekülü için n J(C, H) (n = 1, 2, ... -
Absorption mechanism, structural and electronic properties of MC19 (M = B and Si) fullerenes with 1-acetylpiperazine
Alver, Özgür; Parlak, Cemal; Elzagheid, Mohamed I.; Ramasami, Ponnadurai (Sage Publications Inc, 2018)The interaction mechanisms of undoped, silicon- and boron-doped C20 fullerenes and 1-acetylpiperazine (1-ap) were investigated. Stability, electronic properties, influence of water on the solubility and stability, molecular ... -
Adsorption mechanism, structural and electronic properties: 4-Phenylpyridine & undoped or doped (B or Si) C60
gökpek, Yenal; Bilge, Metin; Bilge, Duygu; Alver, Özgür; Parlak, Cemal (Elsevier Science BV, 2017)Interaction mechanisms of fullerene derivatives and various types of molecules have been paid increasing attention. In this research, interaction mechanism, structural and electronic properties, natural bond orbital (NBO) ... -
Adsorption Mechanisms of 6-Chloro-3-Hydroxy-2-Pyrazinecarboxamide on Pristine, Si- and Al-Doped C-60 Fullerenes: A DFT Study
Parlak, Cemal; Alver, Özgür; Ramasami, Ponnadurai (Springer/Plenum Publishers, 2017)Fullerenes have been of research interest and they have been particularly studied for their possible applications as drug delivery vehicles. In the present research, the optimized molecular geometries, electronic properties ... -
Bazı Boronik Asit Türevlerinin DFT, Raman, FT-IR ve NMR spektroskopik yöntemler ile teorik ve deneysel olarak incelenmesi
Dikmen, Gökhan (Anadolu Üniversitesi, 2016)2-flor-3-metil piridin-5-boronik asit, 6-brom-3-piridinil boronik asit, 4 karboksi-3-fenil boronik asit ve 3-akrilamido fenil boronik asit gibi bazı boronik asit türevlerine ait farklı moleküllerin en kararlı kimyasal ... -
Carbonyl stretching vibrations of 5-halogen-2-thiophenecarboxaldehydes: KBM, AN, SWAIN and LSER parameters
Parlak, Cemal; Alver, Özgür (Pamukkale University, 2016)Halogen and solvent influence on the conformational stability and carbonyl stretching vibration of 5-Halogeno-2-thiophene-carboxaldehydes (C5H3XOS; X=F, Cl or Br) were investigated by the density functional theory using ... -
Complete experimental and theoretical proton and carbon nuclear magnetic resonance spectral assignments, molecular structure and conformational study of 1-cyclohexylpiperazine and 1-(4-pyridyl)piperazine
Alver, Özgür (John Wiley & Sons LTD, 2010)The possible stable forms and molecular structures of 1-cyclohexylpiperazine (1-chpp) and 1-(4-pyridyl)piperazine (1-4pypp) molecules have been studied experimentally and theoretically using nuclear magnetic resonance(NMR) ... -
Computational study on favipiravir adsorption onto undoped-and silicon-decorated C60 fullerenes
Parlak, Cemal; Alver, Özgür; Şenyel, Mustafa (World Scientific Publ Co Pte LTD, 2017)Adsorption and interaction mechanisms of fullerene-based complex systems for possible drug delivery vehicles have been at the center of increasing attention. In the scope of this work, the interaction mechanism between an ... -
Conformational and electronic properties of hydroquinone adsorption on C60 fullerenes: Doping atom, solvent and basis set effects
Ergurhan, Orkun; Parlak, Cemal; Alver, Özgür; Şenyel, Mustafa (Elsevier Science BV, 2018)Hydroquinone (HQ) is widely used as a reducing agent with well-known antioxidant properties. The interaction with pristine and doped fullerenes seems to have a promising research field particularly for the drug delivery ... -
Conformational and electronic properties of N-methacryloyl-(L)-glutamic acid
Parlak, Cemal; Keşan, Gürkan; Kazancı, Nadide; Rhyman, Lydia; Ramasami, Ponnadurai; Alver, Özgür; Akgol, Sinan (Taylor & Francis LTD, 2017)Conformers of N-methacryloyl-(L)-glutamic acid (MAGA, C9H13NO5) in the gas phase, benzene or methanol environment were searched by the density functional theory (DFT) and time-dependent DFT. Selected conformational isomers ... -
A density functional theory investigation on amantadine drug interaction with pristine and B, Al, Si, Ga, Ge doped C60 fullerenes
Parlak, Cemal; Alver, Özgür (Elsevier Science BV, 2017)Amantadine is a well-known drug for its treatment effect on Parkinson's disease and influenza infection or hepatitis. Heteroatom doped fullerenes have been extensively examined for their possible usage in sensor technology ... -
DFT, FT-IR and Raman investigations of 1-pyrrolidino-1-cyclopentene
Keşan, Gürkan; Kaya, Mehmet Fatih; Bilge, Metin; Alver, Özgür; Parlak, Cemal (Pergamon-Elsevier Science LTD, 2013)FT-IR and Raman spectra of 1-pyrrolidino-1-cyclopentene (1py1cp) were experimentally reported in the region of 4000-10 cm(-1) and 4000-100 cm(-1), respectively. The optimized geometric parameters, normal mode frequencies ... -
DFT, FT-Raman, and FT-IR investigations of 1-cyclopropylpiperazine
Keşan, Gürkan; Alver, Özgür; Bilge, Metin; Parlak, Cemal (Maik Nauka/Interperiodica/Springer, 2013)FT-IR and FT-Raman spectra of 1-cyclopropylpiperazine (1cppp) are experimentally examined in the range 4000-200 cm(-1). The optimized geometric parameters, conformational equilibria, normal mode frequencies and corresponding ... -
DFT, FT-Raman, FT-IR, liquid and solid state NMR studies of 2,6-dimethoxyphenylboronic acid
Alver, Özgür; Parlak, Cemal (Elsevier Science BV, 2010)Possible stable forms and molecular structures of 2,6-dimethoxyphenylboronic acid (2,6-dmpba) were studied experimentally and theoretically using FT-IR, Raman, liquid-solid state NMR and XRD spectroscopic methods. FT-IR ... -
DFT, FT-Raman, FT-IR, solution and solid state NMR studies of 2,4-dimethoxyphenylboronic acid
Alver, Özgür (Elsevier France-Editions Scientifiques Medicales Elsevier, 2011)The possible stable forms and molecular structures of 2,4-dimethoxyphenylboronic acid (2,4-dmpba) have been experimentally and theoretically studied using FT-IR. Raman and solution and solid state NMR spectroscopic methods. ... -
Effects of hydrochloric acid treatment on structure characteristics and C2H4 adsorption capacities of nye bentonite from Turkey: a combined FT-IR, XRD, XRF, TG/DTA and MAS NMR study
Erdoğan Alver, Burcu; Alver, Özgür; Günal, Aytaç; Dikmen, Gökhan (Springer, 2016)In this study, a bentonite sample from nye, Turkey was treated with various HCl solutions (0.1, 1.0 and 5.0 M) at 90 A degrees C during 3 and 6 h. X-ray diffraction (XRD), X-ray fluorescence (XRF), differential thermal ... -
Experimental and DFT studies on the vibrational spectra of 1H-indene-2-boronic acid
Alver, Özgür; Kaya, Mehmet Fatih (Elsevier Science BV, 2014)Stable conformers and geometrical molecular structures of 1H-indene-2-boronic acid (I-2B(OH)(2)) were studied experimentally and theoretically using FT-IR and FT-Raman spectroscopic methods. FT-IR and FT-Raman spectra were ... -
Experimental and Theoretical Nmr Study of 4-(1-Pyrrolidinyl)Piperidine
Alver, Özgür; Parlak, Cemal; Bilge, Metin (Chem Soc Ethiopia, 2011)The possible stable forms and molecular structure of 4-(1-pyrrolidinyl)piperidine (4-pypp) have been studied experimentally and theoretically using nuclear magnetic resonance (NMR) spectroscopy. H-1, C-13, N-15, DEPT, COSY ... -
Experimental and theoretical NMR study of 4-(3-cyclohexen-1-yl)pyridine
Parlak, Cemal; Alver, Özgür; Şenyel, Mustafa (Pergamon-Elsevier Science LTD, 2008)H-1, C-13, DEPT, COSY, NOESY and HETCOR NMR spectra of 4-(3-cyclohexen-1-yl)pyridine (4-Chpy) have been reported for the first time. H-1 and C-13 NMR chemical shifts of 4-Chpy (C11H13N) have been calculated by means of the ... -
Fourier Transform Infrared, Solid-State Nuclear Magnetic Resonance, and X-Ray Diffraction Studies of Natural and Acid-Treated Bentonites from Turkey
Alver, Özgür; Erdoğan Alver, Burcu (Taylor & Francis Inc, 2013)The Fourier transform infrared (FT-IR) technique is widely used to distinguish structural properties and to derive information about structural changes following the chemical modification of clays in different conditions. ...
