Kurum Yazarı "Alver, Özgür" Fizik Bölümü İçin Listeleme
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Interaction between doped C-60 fullerenes and piperazine-2,3,5,6-tetraone: DFT simulation
Alver, Özgür; Parlak, Cemal; Ramasami, Ponnadurai; Şenyel, Mustafa (Walter De Gruyter GMBH, 2018)Piperazine and tetraone-related compounds are widely used in the drug industry. Heteroatom-doped fullerenes are studied as new types of sensor devices, and medical applications are studied as drug delivery vehicles. In ... -
Interaction mechanisms and structural properties of B-, Si-doped C60 fullerenes with 1-formylpiperazine
Parlak, Cemal; Alver, Özgür; Ramasami, Ponnadurai (Walter De Gruyter GMBH, 2016)Piperazines and fullerene nanocages are versatile compounds. These are discussed in a wide range of academic work, especially in the field of medicine, and considered for various applications by the pharmaceutical industry. ... -
Interaction mechanisms and structural properties of MC19 (M = Si and Al) fullerenes with chlorophenylpiperazine isomers
Alver, Özgür; Bilge, Metin; Atar, Necip; Parlak, Cemal; Şenyel, Mustafa (Elsevier Science BV, 2017)A great deal of attention has been paid recently to the fullerene based complex systems for their possible applications as drug delivery vehicles and sensor applications. In the framework of this research, Si and Al-doped ... -
Investigation of tautomeric behavior of 3-amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2,5-thiadiazole 1,1-dioxide using Fourier Transform infrared and nuclear magnetic resonance spectroscopic methods: A density functional theory supported study
Ertürk, Aliye Gediz; Gümüş, Sedat; Dikmen, Gökhan; Alver, Özgür (Elsevier Science BV, 2016)Sulfonamide derivatives have been widely incorporated in different types of studies, particularly in bioorganics and medicinal chemistry. Molecular conformation or tautomeric forms of molecules are directly related to their ... -
The investigation of the effect of thermal treatment on bentonites from Turkey with Fourier transform infrared and solid state nuclear magnetic resonance spectroscopic methods
Erdoğan Alver, Burcu; Alver, Özgür (Pergamon-Elsevier Science LTD, 2012)There is a great deal of interest in the building industry in burned clays for production of building materials. Therefore, the effect of heat treatment on natural bentonite from Turkey was investigated by Fourier transform ... -
MC19 (M = B, Si, Al and Ga) fullerenes: Adsorption mechanisms of 1,4-diformylpiperazine
Alver, Özgür; Parlak, Cemal; Ramasami, Ponnadurai (Sage Publications Inc, 2018)Fullerenes and piperazines have been investigated, particularly, in the field of nanoscience and medicinal chemistry. In the present research, besides discussing structural and electronic properties, the most probable ... -
Molecular structure, NMR analyses, density functional theory and ab initio Hartree-Fock calculations of 3-phenylpropylamine
Şenyel, Mustafa; Ünal, Arslan; Alver, Özgür (Elsevier France-Editions Scientifiques Medicales Elsevier, 2009)H-1, C-13, DEPT, COSY, NOESY and HETCOR NMR spectra of 3-phenylpropylamine (3-PPA) have been reported in chloroform-d, dichloromethane-d, methanol-d, dimethylsulfoxide-d and acetone-d. Solvent effects on nuclear magnetic ... -
Molecular structure, NMR analyses, density functional theory and ab initio Hartree-Fock calculations of 4,4 '-diaminooctafluorobiphenyl
Parlak, Cemal; Alver, Özgür; Bağlayan, Özge; Şenyel, Mustafa (Elsevier Science BV, 2008)H-1 and F-19 MAS, C-13 and N-15 CP/MAS NMR and liquid phase NMR spectra of 4,4'-diaminooctafluorobiphenyl (DAOFB) have been reported for the first time. H-1, C-13 and N-15 NMR chemical shifts of DAOFB (C12H4F8N2) have been ... -
NMR determination of solvent dependent behavior and XRD structural properties of 4-carboxy phenylboronic acid: A DFT supported study
Dikmen, Gökhan; Alver, Özgür; Parlak, Cemal (Elsevier Science BV, 2018)Solvent dependent structural properties of 4-carboxy phenylboronic acid (4-cpba) were investigated by X-ray diffraction (XRD) and nuclear magnetic resonance (NMR) spectroscopic methods. The molecular structure and geometric ... -
Nmr Spectroscopic Study and Dft Calculations of Giao Nmr Shieldings and (1)J(Ch) Spin-Spin Coupling Constants of 1,9-Diaminononane
Alver, Özgür; Parlak, Cemal; Şenyel, Mustafa (Chem Soc Ethiopia, 2009)H-1, proton coupled and decoupled C-13, DEPT, HETCOR NMR spectra, the magnitude of one bond (1)J(CH) coupling constants and C-13 NMR spin-lattice relaxation time (T-1) of 1,9-diaminononane (danon, C9H22N2) have been reported ... -
NMR spectroscopic study and DFT calculations of GIAO NMR shieldings and 1JCH, spin-spin coupling constants of 1,9-diaminononane
Alver, Özgür; Parlak, Cemal; Şenyel, Mustafa (Chemical Society of Ethiopia, 2009)1H, proton coupled and decoupled l3C, DEPT, HETCOR NMR spectra, the magnitude of one bond 1Jch coupling constants and l3C NMR spin-lattice relaxation time (T1) of 1,9-diaminononane (danon, C9H22N2) have been reported for ... -
Nmr spectroscopic study and dft calculations of vibrational analyses, giao NMR shieldings and 'JCH, 'Jcc spin-spin coupling constants of 1,7-diaminoheptane
Alver, Özgür; Parlak, Cemal; Şenyel, Mustafa (2009)Vibrational frequencies and approximate mode descriptions of 1,7-diaminoheptane (dahp) have been determined via Becke-3-Lee-Yang-Parr (B3LYP) density functional method with 6-31G(d) basis set. 'H, proton coupled and uncoupled ... -
Nmr Spectroscopic Study and Dft Calculations of Vibrational Analyses, Giao Nmr Shieldings and (1)J(Ch), (1)J(Cc) Spin-Spin Coupling Constants of 1,7-Diaminoheptane
Alver, Özgür; Parlak, Cemal; Şenyel, Mustafa (Chem Soc Ethiopia, 2009)Vibrational frequencies and approximate mode descriptions of 1,7-diaminoheptane (dahp) have been determined via Becke-3-Lee-Yang-Parr (B3LYP) density functional method with 6-31G(d) basis set. H-1, proton coupled and ... -
NMR, FT-IR spectroscopic studies and molecular docking study of 4-acetoxyphenethyl acrylate
Dikmen, Gökhan; Alver, Özgür (World Scientific Publ Co Pte LTD, 2017)Conformational, structural, vibrational spectroscopic properties and nuclear magnetic chemical shift values of 4-acetoxyphenethyl acrylate (4APA) were investigated using spectroscopic and theoretical approaches including ... -
NMR, FT-IR, Raman and UV-Vis spectroscopic investigation and DFT study of 6-Bromo-3-Pyridinyl Boronic Acid
Dikmen, Gökhan; Alver, Özgür (Elsevier Science BV, 2015)Possible stable conformers and geometrical molecular structures of 6-Bromo-3-Pyridinyl Boronic acid (6B3PBA; C5H5BBrNO2) were studied experimentally and theoretically using FT-IR and Raman spectroscopic methods. FT-IR and ... -
Spectroscopic and thermal studies of bentonites from Unye, Turkey
Sakızcı, Meryem; Erdoğan Alver, Burcu; Alver, Özgür; Yörükoğulları, Ertuğrul (Elsevier Science BV, 2010)Three bentonites from Turkey were investigated by X-ray diffraction (XRD), X-ray fluorescence (XRF), differential thermal analysis (DTA), thermogravimetric analysis (TG), Fourier transform infrared (FT-IR), magic angle ... -
Spectroscopic Investigations of 1,4-Dioxane Adsorbed on Bentonite From Anatolia
Alver, Özgür; Parlak, Cemal (2016)The adsorption of 1,4-dioxane on a natural bentonite sample from Ünye region of Turkey has been examined using infrared and solid state magic angle spinning nuclear magnetic resonance spectroscopic techniques. It was ... -
Structural characterization, solvent effects on nuclear magnetic shielding tensors, experimental and theoretical DFT studies on the vibrational and NMR spectra of 3-(acrylamido)phenylboronic acid
Alver, Özgür; Kaya, Mehmet Fatih; Dikmen, Gökhan (Elsevier Science BV, 2015)Structural elucidation of 3-(acrylamido)phenylboronic acid (C9H10BNO3) was carried out with H-1, C-3 and HETCOR NMR techniques. Solvent effects on nuclear magnetic shielding tensors were examined with deuterated dimethyl ... -
Structure analysis and spectroscopic characterization of 2-Fluoro-3-Methylpyridine-5-Boronic Acid with experimental (FT-IR, Raman, NMR and XRD) techniques and quantum chemical calculations
Alver, Özgür; Dikmen, Gökhan (Elsevier Science BV, 2016)Possible stable conformers, geometrical molecular structures, vibrational properties as well as band assignments, nuclear magnetic shielding tensors of 2-Fluoro-3-Methylpyridine-5-Boronic Acid (2F3MP5BA) were studied ... -
The synthesis, molecular structure, FT-IR and XRD spectroscopic investigation of 4-[(2-{[(2-furylmethyl)imino]methyl}-4-methoxyphenoxy)methyl]benzonitrile: A comparative DFT study
Alver, Özgür; Hayvalı, Zeliha; Güler, Hüseyin; Dal, Hakan; Şenyel, Mustafa (Elsevier Science BV, 2011)4-[(2-{[(2-Furylmethyl)imino]methyl}-4-methoxyphenoxy)methyl]benzonitrile, a novel Schiff base compound, was prepared for the first time and its structural and vibrational properties were studied both experimentally and ...