Makale Koleksiyonu: Recent submissions

Now showing items 81-100 of 435

Novel D-pi-A organic dyes for DSSCs based on dibenzo[b,h] [1,6] naphthyridine as a pi-bridge

Barn Seckin Arslan; Güzel, Emre; Tugba Kaya; Veysel Durmaz; Merve Keskin; Avcı, Davut; Nebioğlu, Mehmet; Şişman, İlkay; Ilkay Sisman (ELSEVIER SCI LTD, 2019)

A new series of D-pi-A organic dyes bearing fused dibenzo[b,h] [1,6]naphthyridine as the conjugated pi-bridge, a cyanoacrylic acid moiety as the electron acceptor/anchoring group and different electron donor groups such ...
Theoretical investigation of electron-phonon interaction in the orthorhombic phase of Mo2C

Karaca, Ertuğrul; Bağcı, Sadık; Tütüncü, Hüseyin Murat; Uzunok, Hüseyin Yasin; G. P. Srivastava (ELSEVIER SCIENCE SA, 2019)

We have studied the structural, electronic, elastic, mechanical, vibrational and electron-phonon interaction properties of Mo2C crystallizing in the simple orthorhombic zeta-Fe2N-type crystal structure by using the generalized ...
Study on the 4-ethoxy-2-methyl-5-(4-morpholinyl)-3(2H)pyridazinone using FT-IR, H-1 and C-13 NMR, UV-vis spectroscopy, and DFT/HSEH1PBE method

Bulent Dede; Avcı, Davut; Semiha Bahceli (CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS, 2018)

In this work, the 4-ethoxy-2-methyl-5-(4-morpholinyl)-3(2H)-pyridazinone (or emarfazone, C11H17N3O3) compound, which has many biological functions, has been investigated using FT-IR, H-1 and C-13 NMR (in CDCl3 solvent), ...
Magnetic, Optoelectronic, and Thermodynamic Properties of Sr2CrXO6 (X = La and Y): Half-Metallic and Ferromagnetic Behavior

Slimane Haid; Bouabdellah Bouadjemi; Samir Bentata; Tayeb Lantri; Çoruh, Ali; Ali Zitouni; Bachir Bouhafs; Zoubir Aziz (SPRINGER, 2018)

The effects of spin polarization on the structure, magnetic, and optoelectronic properties of Cr-based series of double perovskites Sr2CrXO6 (X = La and Y) have been studied by using the full-potential linearized augmented ...
New composite gyrotropic double-negative metamaterial

Wioletta Pasko; Igor Tralle; Klaudiusz Majchrowski; Pawel Zieba; Çoruh, Ali (SPRINGER, 2018)

This work is the continuation of our study started in Tralle et al. (J Appl Phys 115:233509, 2014). In it, we examined the possibility of fabricating the metamaterial in a relatively simple way. Our idea was to use the ...
Theoretical investigation of superconductivity in the non-centrosymmetric SrPtGe3 and CaPtSi3 compounds

Uzunok, Hüseyin Yasin; Tütüncü, Hüseyin Murat; G. P. Srivastava; A. Basoglu (TAYLOR & FRANCIS LTD, 2019)

First-principles calculations are made to investigate structural, elastic, electronic, vibrational and electron-phonon interaction properties of non-centrosymmetric superconductors SrPtGe3 and CaPtSi3. Electronic structure ...
Structural, electronic, and dynamical properties of the C(001)-(2 x 1) surface

Tütüncü, Hüseyin Murat; Bağcı, Sadık (AMERICAN PHYSICAL SOC, 2004)

We have made theoretical investigations of the atomic geometry, electronic structure, and lattice dynamics of the C(001)-(2x1) surface. The atomic geometry and electronic structure have been calculated by using the local ...
Three novel Cu(II), Cd(II) and Cr(III) complexes of 6-Methylpyridine-2-carboxylic acid with thiocyanate: Synthesis, crystal structures, DFT calculations, molecular docking and alpha-Glucosidase inhibition studies

Avcı, Davut; Sumeyye Alturk; Sönmez, Fatih; Tamer, Ömer; Başoğlu, Adil; Atalay, Yusuf; Belma Zengin Kurt; Necmi Dege (PERGAMON-ELSEVIER SCIENCE LTD, 2018)

Novel complexes of 6-methylpyridine-2-carboxylic acid and thiocyanate ([Cu(NCS)(6-mpa)(2)], (1); [Cd(NCS)(6-mpa)](n), (2); [Cr(NCS)(6-mpa)(2)center dot H2O], (3)} were synthesized, and their structures were characterized ...
Crystal growth, structural and spectroscopic characterization, antimicrobial activity, DNA cleavage, molecular docking and density functional theory calculations of Zn(II) complex with 2-pyridinecarboxylic acid

Tamer, Ömer; Avcı, Davut; Emine Celikoglu; Onder Idil; Atalay, Yusuf (WILEY, 2018)

A Zn(II) complex with 2-pyridinecarboxylic acid was prepared, and its crystal structure characterization was carried out using X-ray diffraction analysis. The spectroscopic properties of the Zn(II) complex were determined ...
Copper(II) complex with 6-methylpyridine-2-carboxyclic acid: Experimental and computational study on the XRD, FT-IR and UV-Vis spectra, refractive index, band gap and NLO parameters

Sumeyye Alturk; Avcı, Davut; Başoğlu, Adil; Tamer, Ömer; Atalay, Yusuf; Necmi Dege (PERGAMON-ELSEVIER SCIENCE LTD, 2018)

Crystal structure of the synthesized copper(II) complex with 6-methylpyridine-2-carboxylic acid, [Cu(6-Mepic)(2)center dot H2O], H2O, was determined by XRD, FT-IR and UV-Vis spectroscopic techniques. Furthermore, the ...
A Theoretical Study on N '-[(Z)-(4-Methylphenyl)Methylidene]-4-Nitrobenzohydrazide (NMPMN)

Muhammet Okur; Nazmiye Albayrak; Tamer, Ömer; Avcı, Davut; Atalay, Yusuf (SPRINGER, 2018)

Quantum mechanical calculations of ground state energy, vibration wavenumbers, and electronic absorption wavelengths of N '-[(Z)-(4-methylphenyl)methylidene]-4-nitrobenzohydrazide with C15H13N3O3 empirical formula was ...
Crystal structure, spectroscopic (FT-IR, H-1 and C-13 NMR) characterization and density functional theory calculations on Ethyl 2-(dichloromethyl)-4-methyl-1-phenyl-6-thioxo-1,6-dihydropyrimidine-5-carboxylate

A. Pekparlak; Tamer, Ömer; S. D. Kanmazalp; N. Berber; M. Arslan; Avcı, Davut; N. Dege; E. Tarcan; Atalay, Yusuf (ELSEVIER SCIENCE BV, 2018)

A multicomponent reaction between ethyl 3-aminocrotonate, phenyl isothiocyanates, 2,2-dichloroacetyl chloride and to give 6-thioxo-1,6-dihydropyrimidine-5-carboxylate. This one-pot, three-component condensation took place ...
Low-energy dipole strength in even-even Dy-152-(164) isotopes within the quasiparticle random phase approximation (QRPA) including symmetry restoring interactions

Tabar, Emre; Yakut, Hakan; Alı Akbar Kulıyev (ELSEVIER SCIENCE BV, 2018)

A systematic study of the low-lying magnetic (M1) and electric dipole (E1) transitions from ground- to 152-164 excited-states in the doubly-even Dy152-164 isotopes has been performed within the framework of the rotational ...
Optimized geometry, spectroscopic characterization and nonlinear optical properties of carbazole picrate: a density functional theory study

C. Arioglu; Tamer, Ömer; Avcı, Davut; Atalay, Yusuf (INDIAN ASSOC CULTIVATION SCIENCE, 2018)

The molecular modeling of carbazole picrate (CP) was carried out by using B3LYP and HSEH1PBE levels of density functional theory and 6-311++G(d,p) basis set by means of Gaussian 09 revision D.01 program. These methods have ...
5-Methyl-2-thiophenecarboxaldehyde: Experimental and TD/DFT study

Avcı, Davut; Tamer, Ömer; Başoğlu, Adil; Atalay, Yusuf (ELSEVIER SCIENCE BV, 2018)

The 5-Methyl-2-thiophenecarboxaldehyde (MTC) and its derivatives present a wide range of biological activities. In this regard a combined experimental and theoretical analysis for MTC and its derivatives can help to ...
Energies and Lifetimes of Levels for Doubly Ionized Xenon and Radon

Eser, Selda; Özdemir, Leyla (POLISH ACAD SCIENCES INST PHYSICS, 2018)

We have reported the energies and radiative lifetimes of levels for doubly ionized xenon (Xe III) and radon (Rn III). The calculations have been performed using the general-purpose relativistic atomic structure package ...
Electric dipole transitions between low-lying levels in doubly ionized krypton, xenon, and radon

Eser, Selda; Özdemir, Leyla (CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS, 2018)

Using the general-purpose relativistic atomic structure package (GRASP) based on a fully relativistic multiconfiguration Dirac-Fock (MCDF) method, the transition parameters, such as transition rates (probabilities), ...
Fully renormalized quasi-particle random phase approximation, spurious states and ground state correlations

Guliyev, Ali; Güner, Mehmet (IOP PUBLISHING LTD, 2004)

An approach, called fully renormalized QRPA (FR-QRPA), which takes into account the Pauli principle for the ground state correlations (GSC) and fulfills the Ikeda sum rule has recently been developed. Here a new rotational ...
Role of spin-orbit coupling in the physical properties of LaX3 (X=In, P, Bi) superconductors

Tütüncü, Hüseyin Murat; Karaca, Ertuğrul; Uzunok, Hüseyin Yasin; G. P. Srivastava (AMER PHYSICAL SOC, 2018)

We report a comprehensive and complementary study on structural, elastic, mechanical, electronic, phonon, and electron-phonon interaction properties of LaX3 (X = In, Pb, and Bi) using first-principles density functional ...
Structural, dielectric and humidity properties of Al-Ni-Zn ferrite prepared by co-precipitation method

Tugba Sasmaz Kuru; Mehmet Kuru; Bağcı, Sadık (ELSEVIER SCIENCE SA, 2018)

Al0,2Ni0,3Zn0,5Fe2O4 ferrite nanoparticles have been synthesized by chemical co-precipitation method and structural characterization has been analyzed using X-Ray diffraction (XRD) and scanning electron microscopy (SEM). ...