Fizik / Physics: Recent submissions

Now showing items 421-440 of 446

Synthesis and characterization of functional copolymer/organo-silicate nanoarchitectures through interlamellar complex-radical (co)terpolymerization

Delibaş, Nagihan (BUDAPEST UNIV TECHNOL & ECON, 2008)

The functional copolymers, having a combination of rigid/flexible linkages and an ability of complex-formation with interlayered surface of organo-silicate, and their nanocomposites have been synthesized by interlamellar ...
FT-IR, FT-Raman, NMR spectra, and molecular structure investigation of 2,3-dibromo-N-methylmaleimide: A combined experimental and theoretical study

Çoruh, Ali (ELSEVIER SCIENCE BV, 2008)

In the present work, the experimental and theoretical vibrational spectra and chemical shifts of 2,3-dibromo-N-methylmaleimide (2,3DBrNMM, C(5)H(3)NO(2)Br(2)) were studied. FT-IR and FT-Raman spectra of 2,3DBrNMM in the ...
Molecular structure and vibrational assignment of melaminium phthalate by density functional theory (DFT) and ab initio Hartree-Fock (HF) calculations

Avcı, Davut; Atalay, Yusuf (PERGAMON-ELSEVIER SCIENCE LTD, 2008)

The molecular geometry, the normal mode frequencies and corresponding vibrational assignment of melaminium phthalate (C3H7N6+center dot C8H5O4-) in the ground state were performed by HF and B3LYP levels of theory using the ...
Diaquabis(4-chlorobenzoato-kappa O)bis(N,N-diethylnicotinamide-kappa N-1)manganese(II)

Delibaş, Nagihan (INT UNION CRYSTALLOGRAPHY, 2008)

The title compound, [Mn(C7H4ClO2)(2)(C10H14N2O)(2)(H2O)(2)], is a monomeric complex with the Mn-II atom lying on an inversion center. It contains two 4-chlorobenzoate and two diethylnicotinamide ligands and two water ...
Electric dipole transitions for LaI (Z=57)

Usta, Betül; Özdemir, Leyla (PERGAMON-ELSEVIER SCIENCE LTD, 2008)

Wavelengths, weighted oscillator strengths and transition probabilities for electric dipole (El) transitions for some excited levels in neutral lanthanum (La I, Z = 57) have been calculated using the multiconfiguration ...
Electronic structure and lattice dynamical properties of different tetragonal phases of BiFeO3

Tütüncü, Hüseyin Murat (AMER PHYSICAL SOC, 2008)

From first-principles calculations based on the plane-wave pseudopotential method within the density-functional +U scheme, we have investigated the atomic geometry, electronic band-structure, and lattice dynamical properties ...
Ab initio investigations of the phonon anomaly and superconductivity in fcc La

Tütüncü, Hüseyin Murat (AMER INST PHYSICS, 2008)

We have employed the ab initio plane wave pseudopotential method within a generalized gradient approximation of the density functional theory and a linear response approach to investigate the phonon anomaly and superconductivity ...
Density Functional Theory and ab initio Hartree-Fock Calculations of Molecular Structure and Vibrational Spectra of Anilinium Nitrate

Avcı, Davut; Başoğlu, Adil; Atalay, Yusuf (WALTER DE GRUYTER GMBH, 2008)

The molecular geometry, vibrational frequencies, infrared intensities, Raman scattering activities and several thermodynamic parameters of anilinium nitrate in the ground state have been calculated by both Hartree-Fock ...
Determination and analysis of the dispersive optical constants of the 5,5',6,6'-tetraphenyl-2,2'-bi([1,3]dithiolo[4,5-b][1,4]dithiinylidene)-DDQ complex thin film

Atalay, Yusuf; Başoğlu, Adil; Avcı, Davut; Arslan, Mustafa (ELSEVIER SCIENCE BV, 2008)

The synthesis and optical properties of the 5,5',6,6'-tetraphenyl-2,2'-bi([1,3]dithiolo [4,5-b] [1,4]dithiinylidene)-2,3-dichloro-5, 6-dicyano-p-benzoquinone (DDQ) complex thin film were investigated by the optical ...
Debye type dielectric relaxation in carbon nano-balls' and 4-DMAABCA acid doped E7 coded nematic liquid crystal

Şentürk, Erdoğan (ELSEVIER SCIENCE BV, 2008)

The electrical properties of carbon nano-balls' and 4-dimethylaminoazobenzene-2'-carboxylic acid doped dispersed nematic liquid crystal composite were investigated by impedance spectroscopy technique. The conductivity and ...
Linear and non-linear optical properties of some donor-acceptor oxadiazoles by ab initio Hartree-Fock calculations

Atalay, Yusuf; Avcı, Davut; Başoğlu, Adil (SPRINGER/PLENUM PUBLISHERS, 2008)

The molecular hyperpolarizability of some donor-acceptor oxadiazoles was investigated using ab initio methods. Ab initio optimizations were performed at the Hartree-Fock level using different basis sets, starting with the ...
Electric dipole transitions for highly excited states in helium-like sulphur

Özdemir, Leyla; Ürer, Güldem; Usta, Betül (PERGAMON-ELSEVIER SCIENCE LTD, 2008)

We have calculated relativistic energies, weighted oscillator strengths and transition probabilities for electric dipole (El) transitions among the terms belonging to 1snl (n <= 9, l <= 3) configurations in helium-like ...
Energies and lifetimes for some excited levels in LaI

Usta, Betül; Özdemir, Leyla (POLISH ACAD SCIENCES INST PHYSICS, 2008)

We calculated relativistic energies and Lande factors for 5d6s(2) 5d(2)6s, 5d(3), 5d6s7s, 4f6s6p, 5d6s6p, 5d(2)6p, and 4f5d6s levels in neutral lanthanum (Z = 57). We also obtained electric dipole transition energies and ...
Molecular structure, IR and NMR spectra of 2,6 distyrylpyridine by density functional theory and ab initio Hartree-Fock calculations

Atalay, Yusuf; Başoğlu, Adil; Avcı, Davut (PERGAMON-ELSEVIER SCIENCE LTD, 2008)

Vibrational frequencies and gauge including atomic orbital (GIAO) C-13 NMR and H-1 NMR chemical shift values of 2,6 distyrylpyridine (C21H17N) in the ground state have been calculated by using the Hartree-Fock (HF) and ...
beta Dielectric relaxation mode in side-chain liquid crystalline polymer film

Şentürk, Erdoğan (ELSEVIER SCIENCE BV, 2008)

In this paper, side-chain liquid crystalline polymer (SLCP) film was studied by dielectric relaxation spectroscopy (DRS). Dielectric properties were measured in the frequency range from 1 kHz to 10 MHz at some fixed ...
Bis(4-fluorobenzoato-kappa O-2,O ')bis-(nicotinamide-kappa N-1)zinc(II)monohydrate

Delibaş, Nagihan (INT UNION CRYSTALLOGRAPHY, 2008)

The title compound, [Zn(C7H4FO2)(2)(C6H6N2O)(2)]center dot H2O, is a monomeric complex. It contains two 4-fluorobenzoate and two nicotinamide ligands and one uncoordinated water molecule. The 4-fluorobenzoates act as ...
Diaquabis(4-bromobenzoato-kappa O-2,O ')-zinc(II)

Delibaş, Nagihan (INT UNION CRYSTALLOGRAPHY, 2008)

The monomeric title Zn-II complex, [Zn(C7H4BrO2)(2)(H2O)(2)], contains two 4-bromobenzoate ( BB) ligands and two coordinated water molecules around a Zn-II atom on a twofold rotation axis. The BB ions act as bidentate ...
(E, E)S, S '-bis(2-benzimidazolylmethyl) dithioglyoxime, synthesis and characterization of heterotrinuclear complexes of and determination of their metal contents by EDXRF analysis

Yıldız, Salih Zeki; Atalay, Yusuf (ELSEVIER SCIENCE SA, 2008)

A vicinal dioxime ligand with two 2-benzimidazolylmethyl groups, namely S,S'-bis(2-benzimidazolylmethyl) dithioglyoxine (H2L) and its axially pyridine and 2,6-dimethyl pyridine bonded Co(III) complexes were prepared according ...
AIP Conference Proceedings

Özdemir, Leyla; Usta, Betül; Ürer, Güldem (AMER INST PHYSICS, 2007)

Energy calculations for some levels in H-, He- and Li-like sulphur have been obtained using multiconfiguration Hartree-Fock (MCHF) approximation with Breit-Pauli relativistic corrections. Results obtained have been compared ...
Electric dipole transitions for some excited states in neutral silver

Özdemir, Leyla; Usta, Betül; Ürer, Güldem (INDIAN ASSOC CULTIVATION SCIENCE, 2007)

For some excited levels, transition energies, wavelengths, oscillator strengths and transition probabilities calculations in neutral silver (Ag I) have been calculated within the framework multiconfiguration Hartree-Fock ...