Fizik / Physics: Recent submissions

Now showing items 361-380 of 446

A THEORETICAL STUDY ON A CHIRAL COORDINATION OF SILVER(I) WITH SACCHARINATE AND PYRIDINE [Ag(sac)(py)]

Avcı, Davut; Atalay, Yusuf; Çelik, Tülay (SPRINGER HEIDELBERG, 2010)

The molecular geometry, the normal mode frequencies, and corresponding vibrational assignments of chiral coordination monomer silver(I) with saccharinate and pyridine [Ag(sac)(py)] in the ground state were performed by HF ...
Electric dipole strength distribution below the E1 giant resonance in N=82 nuclei

Guliyev, Ali; Güner, Mehmet (DE GRUYTER OPEN LTD, 2010)

In this study quasiparticle random-phase approximation with the translational invariant Hamiltonian using deformed mean field potential has been conducted to describe electric dipole excitations in Xe-136, Ba-138, Ce-140, ...
The multi-dimensional q-deformed bosonic Newton oscillator and its inhomogeneous quantum invariance group

Arıkan, Ali Serdar (VERSITA, 2010)

We obtain the inhomogeneous invariance quantum group for the multi-dimensional q-deformed bosonic Newton oscillator algebra. The homogenous part of this quantum group is given by the multiparameter quantum group GL(X;qij) ...
The consistency analysis of different semiempirical calculations on second- and third-order nonlinear optical properties of donor-acceptor chromophores containing alpha-cyan

Avcı, Davut (PERGAMON-ELSEVIER SCIENCE LTD, 2010)

The static and frequency dependent average polarizability (<alpha >), first- and second-hyperpolarizabilities (<beta > and <gamma >) and HOMO and LUMO energies of donor-acceptor chromophores containing a-cyan (la-c) have ...
Theoretical studies of molecular structure and vibrational spectra of melaminium acetate acetic acid solvate monohydrate

Avcı, Davut; Atalay, Yusuf; Cömert, Hüseyin (PERGAMON-ELSEVIER SCIENCE LTD, 2010)

The molecular geometry and vibrational frequencies of melaminium acetate acetic acid solvate monohydrate in the ground state have been calculated by using the Hartree-Fock (HF) and density functional method (B3LYP) with ...
The low-energy dipole structure of Th-232, U-236 and U-238 actinide nuclei

Guliyev, Ali; Ertuğral Yamaç, Filiz (SPRINGER, 2010)

In this study, I-pi = 1(+) and I-pi = 1(-) dipole mode excitations are systematically investigated within the rotational and translational + Galilean invariant quasiparticle random-phase approximation for Th-232, U-236, ...
(e, 2e) experiments on (2s(2))S-1, (2p(2))D-1 and (2s2p)P-1 autoionizing levels of helium in the direction of the binary lobe

Doğan, Metin; Okur, İbrahim (IOP PUBLISHING LTD, 2010)

The (e, 2e) triple differential cross sections are measured for the electron-impact excitation of the (2s(2))S-1, (2p(2))D-1 and (2s2p)P-1 autoionizing transitions in helium. The experiments were performed under coplanar ...
Electronic structure, phonons, and electron-phonon interaction in Mo3Si

Tütüncü, Hüseyin Murat; Bağcı, Sadık (AMER PHYSICAL SOC, 2010)

The structural, elastic, electronic, dynamical, and superconducting properties of cubic A15 Mo3Si have been investigated in detail by employing an ab initio pseudopotential method and a linear-response scheme within a ...
Experimental and theoretical study of 4-cyanobenzaldehyde isonicotinoyl-hydrazone monohydrate

Atalay, Yusuf (ELSEVIER SCIENCE BV, 2010)

The molecular geometry, vibrational frequencies, gauge-including atomic orbital (CIAO) H-1 and C-13 chemical shift values of 4-cyanobenzaldehyde isonicotinoyl-hydrazone monohydrate in the ground state have been calculated ...
Two-parameter deformed supersymmetric oscillators with SUq1/q2 (n vertical bar m)-covariance

Arıkan, Ali Serdar (ELSEVIER SCIENCE BV, 2010)

A two-parameter deformed superoscillator system with SUq1/q2 (n/m)-covariance is presented and used to construct a two-parameter deformed N = 2 SUSY algebra. The Fock space representation of the algebra is discussed and ...
A comparative study of surface phonons on CdTe(110) and InSb(110)

Tütüncü, Hüseyin Murat (ELSEVIER SCIENCE BV, 2001)

We have studied the lattice dynamics of the CdTe(110) and InSb(110) surfaces by using the adiabatic bond-charge model. The atomic geometry and electronic informations for the phonon calculations have been obtained by using ...
EFFECTS OF BORON OXIDE ADDITION ON DIELECTRIC PROPERTIES OF LOW LOSS STEATITE CERAMICS

Şentürk, Erdoğan (UNIV CHEMISTRY & TECHNOLOGY, PRAGUE, 2010)

Steatite ceramics have been fabricated by using starting materials such as talc, clay, and barium carbonate with addition of boron oxide (B2O3). B2O3 has been found to be a useful flux to dens, MgO-Al2O3,SiO2-BaO (MASB) ...
Electric Dipole Transition Parameters for Low-Lying Levels for Neutral Actinium

Özdemir, Leyla; Ürer, Güldem (POLISH ACAD SCIENCES INST PHYSICS, 2010)

We have calculated the energies of some low-lying levels (6d7s(2), 6d(2)7s, 6d7s7p and 6d(2)7p) and electric dipole transition parameters (wavelengths, oscillator strengths and transition probabilities) between them for ...
Transition energies of neutral and singly ionized lanthanum

Usta, Betül; Özdemir, Leyla (INDIAN ASSOC CULTIVATION SCIENCE, 2010)

We have calculated the transition energies (ionization potential, excitation energies, electron affinity) of neutral lanthanum (La I) and singly ionized lanthanum (La II). The calculations are based upon the multiconfiguration ...
Calculated on H-1 and C-13 NMR Chemical Shifts of 2,4-Difluorobenzaldehyde Isonicotinoylhydrazone and 2,3-Dichlorobenzaldehyde Isonicotinoylhydrazone with GIAO, IGAIM, and CSGT Models

Avcı, Davut; Atalay, Yusuf; Cömert, Hüseyin (WILEY-HINDAWI, 2009)

The H-1 and C-13 NMR chemical shifts of the 2,4-difluorobenzaldehyde isonicotinoylhydrazone (I) and 2,3-dichlorobenzaidehyde isonicotinoylhydrazone (II) were determined with the help of full spectral analysis. The geometry ...
Catalytic oxidation of 2-Propanol over (Cr,Mn,Fe)-Pt/gamma-Al2O3 bimetallic catalysts and modeling of experimental results by artificial neural networks

Delibaş, Nagihan (TAYLOR & FRANCIS INC, 2010)

The catalytic activity of transition metals (Cr,Mn,Fe) supported on the Pt/gamma-Al2O3 industrial catalyst was investigated to bring about the complete oxidation of 2-Propanol. Catalytic studies were carried out under ...
Molecular structure and vibrational and chemical shift assignments of 3,5-bis-(4-methylbenzoyl)-2,6-bis(4-methylphenyl)-4H-pyran-4-one: A combined experimental and theoretical analysis

Avcı, Davut; Atalay, Yusuf; Cömert, Hüseyin (ELSEVIER SCIENCE BV, 2010)

The molecular geometry, vibrational frequencies, gauge-including atomic orbital (GIAO) H-1 and C-13 chemical shift values of 3,5-bis-(4-methylbenzoyl)-2,6-bis(4-methylphenyl)-4H-pyran-4-one in the ground state have been ...
Ab initio HF and DFT calculations on an organic non-linear optical material

Avcı, Davut; Başoğlu, Adil; Atalay, Yusuf (SPRINGER/PLENUM PUBLISHERS, 2010)

The molecular geometric optimization, vibrational frequencies, and gauge-including atomic orbital (GIAO) (1)H and (13)C chemical shift values of 3-[(1E)-N-ethylethanimidoyl]-4-hydroxy-6-methyl-2H-pyran-2-one have been ...
Ground state, phonon spectrum, and superconducting properties of the cubic inverse perovskite Sc3AlN

Bağcı, Sadık; Yalçın, Battal Gazi; Tütüncü, Hüseyin Murat (AMER PHYSICAL SOC, 2010)

We present results of ab initio theoretical investigations of the structural, elastic, and electronic properties of the cubic inverse perovskite Sc3AlN by employing the plane-wave pseudopotential method within the generalized ...
Theoretical Analysis of Vibrational Spectra and Scaling-Factor of 2-Aryl-1,3,4-Oxadiazole Derivatives

Avcı, Davut; Atalay, Yusuf (WILEY, 2009)

In this study, the direct molecular structure implementations for calculating vibrational spectra and scaling factors, and infrared intensities at both the Hartree-Fock (HF) and density functional (B3LYP) levels of theory ...