Kurum Yazarı "Alver, Özgür" Makale Koleksiyonu İçin Listeleme
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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 ... -
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 ... -
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 ... -
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-(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. ... -
FT-IR and Raman spectroscopic and quantum chemical investigations of some metal halide complexes of 1-phenylpiperazine
Keşan, Gürkan; Bağlayan, Özge; Parlak, Cemal; Alver, Özgür; Şenyel, Mustafa (Pergamon-Elsevier Science LTD, 2012)New metal halide complexes in the form of M(pp)(2)Cl-2 (where pp = 1-phenylpiperazine and M = Pd or Hg) have been prepared for the first time and their FT-IR and FT-Raman spectra are reported in the region of 4000-10 cm(-1) ... -
FT-IR spectroscopic investigation of some Hofmann type complexes: M(1-phenylpiperazine)(2)Ni(CN)(4) (M = Ni, Co, Cd, Pd or Mn)
Şenyel, Mustafa; Parlak, Cemal; Alver, Özgür (Pergamon-Elsevier Science LTD, 2008)New Hofmann type complexes in the form of M(pp)(2)Ni(CN)(4) (where pp = 1-phenylpiperazine and M = Ni, Co, Cd, Pd or Mn) have been prepared in powder form and their infrared spectra have been reported in the range of ... -
FT-IR, NMR SPECTROSCOPIC and QUANTUM MECHANICAL INVESTIGATIONS OF TWO FERROCENE DERIVATIVES
Alver, Özgür; Parlak, Cemal (Chem Soc Ethiopia, 2017)New ferrocene derivatives as N-(3-piperidin-1-ylpropyl) ferrocenamide (Fc-3ppa) and N-( pyridine-3-ylmethyl) ferrocenamide (Fc-3pica) and structural investigations were carried out with H-1, C-13, DEPT 45 or 135, HETCOR, ... -
Ft-Ir, Raman and Dft Studies on the Vibrational Spectra of 2,2-Bis(Aminoethoxy)Propane
Alver, Özgür (Chem Soc Ethiopia, 2016)Various structural forms and molecular structures of 2,2-bis(aminoethoxy) propane (baep) were examined both experimentally and theoretically including FT-IR and Raman spectroscopic methods. Among the possible structural ... -
H-1 C-13 NMR and (n)J(CH) coupling constants investigation of 4-Phenylpyridine: A combined experimental and theoretical study
Alver, Özgür; Parlak, Cemal; Şenyel, Mustafa (Elsevier Science BV, 2007)Proton coupled and uncoupled C-13, H-1, DEPT, COSY and HETCOR NMR spectra of 4-Phenylpyridine (4-Phpy) have been reported for the first time except for its H-1 NMR spectrum. In order to provide a precise structural elucidation ... -
Infrared, Raman and density functional characterization and structural study of 2-Nitro-2-phenyl-propane-1,3-diol
Kaya, Mehmet Fatih; Bağlayan, Özge; Kaya, Esma Güneş; Alver, Özgür (Elsevier Science BV, 2017)Nitro compound and nitro derivatives are industrially important to produce rubber and agricultural chemicals. In this study, one of the promising derivatives of nitro compound 2-Nitro-2-phenyl-propane-1,3-diol (2NPP) is ...