Makale Koleksiyonu: Recent submissions

Now showing items 21-40 of 435

Theoretical studies of molecular structure and vibrational spectra of glutaconic acid

Atalay, Yusuf; Avcı, Davut; Başoğlu, Adil (ELSEVIER SCIENCE BV, 2006)

The molecular geometry and vibrational frequencies of glutaonic acid (C5O4H6) in the ground state has been calculated using the Hartree-Fock (HF) and density functional method (B3LYP) with 6-31G(d) basis set. The optimized ...
Characterization of the Ge(001)/Si-(2 x 1) surface using lattice dynamics

Tütüncü, Hüseyin Murat (AMER PHYSICAL SOC, 1999)

We present lattice dynamical calculations for segregated and nonsegregated models of the monolayer Si-covered Ge(001) surface. The calculations were performed using the adiabatic bend-charge model, with structural parameters ...
Theoretical examination of whether phonon dispersion in Nb3Sn is anomalous

Tütüncü, Hüseyin Murat; Bağcı, Sadık; Duman, Sıtkı (AMER PHYSICAL SOC, 2006)

Ab initio psuedopotential calculations have been performed for the electronic structure and lattice dynamics of Nb3Sn. It is found that electronic states near the Fermi level show anomalous dispersion. In agreement with ...
Some special dielectric characteristics of TlGaSe2 layered crystals

Şentürk, Erdoğan (WILEY-V C H VERLAG GMBH, 2006)

TlGaSe2 layered crystals were characterized with dielectric spectroscopy measurements. We have studied the memory effect within soliton regime, time relaxation in annealing temperature, and the effect of different cooling ...
Computational note on theoretical studies of ethene-1,1,2,2-tetrayltetramethylene tetrathiocyanate

Atalay, Yusuf; Avcı, Davut (ELSEVIER SCIENCE BV, 2006)

The molecular geometry and vibrational frequencies of the title (C10H8N4S4) compound in the ground state have been calculated using the Hartree-Fock (HF) and density functional method (B3LYP) with 6-31 G(d) basis set. ...
Electronic structure, phonons and electron-phonon interaction in MgXNi3 (X = B, C and N)

Tütüncü, Hüseyin Murat (IOP PUBLISHING LTD, 2006)

Ab initio calculations have been performed to study the electronic structure, phonon dispersion relations, and the electron-phonon interaction for cubic superconductors MgXNi3 with X = B, C and N. The electronic calculations ...
s-deformed particle algebras and the addition of s

Arıkan, Ali Serdar (WORLD SCIENTIFIC PUBL CO PTE LTD, 2006)

We begin by considering a system which gives the usual fermion algebra when the appropriate limiting case is considered. We study its Hopf algebra structure. Investigation of its representation forces us to impose additional ...
Ab initio calculations and dynamical properties of the Se : InP(110) and Te : InP(110)

Tütüncü, Hüseyin Murat; Güney, Yılmaz (ELSEVIER SCIENCE BV, 2006)

We present results of ab initio theoretical investigations of the structural and dynamical properties of the Se:InP(110) and Te:InP(110) surfaces, by employing the plane wave pseudopotential method, the local density ...
Computational note on theoretical studies of molecular structure and vibrational spectra of 4,8-bis(2-hydroxybenzyl)-cis-octahydro [1,4]-oxazino [3,2-b]-1,4-oxazine

Atalay, Yusuf; Avcı, Davut (ELSEVIER SCIENCE BV, 2006)
Ground-state properties of arsenic deposited on the Ge(001)(2 x 1) surface

Duman, Sıtkı; Bağcı, Sadık; Tütüncü, Hüseyin Murat (ELSEVIER SCIENCE BV, 2006)

We present results of ab initio calculations of structural, electronic and vibrational properties of the Ge(001) surface covered with a monolayer of arsenic. The fully occupied pi(u) bonding and pi(g) antibonding electronic ...
The molecular structure and vibrational spectra of 1-amino-5-benzoyl-4-phenylpyrimidin-2(1H) by Hartree-Fock and density functional methods

Atalay, Yusuf (PERGAMON-ELSEVIER SCIENCE LTD, 2006)

The molecular structure and vibrational spectra of 1-amino-5-benzoyl-4-phenylpyrimidin-2(1H) (C17H13N3O2) have been investigated by Hartree-Fock and density functional method using standard B3LYP with 6-31G(d) basis set. ...
Measurement of the x- and Q(2)-dependence of the asymmetry A(1) on the nucleon

Bektaşoğlu, Mehmet (ELSEVIER SCIENCE BV, 2006)

We report results for the virtual photon asymmetry A I on the nucleon from new Jefferson Lab measurements. The experiment, which used the CEBAF Large Acceptance Spectrometer and longitudinally polarized proton ((NH3)-N-15) ...
Ab initio calculation of the structural and dynamical properties of the zinc-blende BN and its (110) surface

Bağcı, Sadık; Duman, Sıtkı; Tütüncü, Hüseyin Murat (ELSEVIER SCIENCE SA, 2006)

Using a first-principles pseudopotential technique, we have presented static and dynamical properties of cubic-BN. The calculated values for the lattice constant, bulk modulus, its first derivative and optical dielectric ...
Theoretical study of the structural, electronic and dynamical properties of rocksalt ScN and GaN

Duman, Sıtkı; Bağcı, Sadık; Tütüncü, Hüseyin Murat (ELSEVIER SCIENCE SA, 2006)

Structural, electronic and dynamical properties of the rocksalt structure of the nitride materials ScN and GaN have been studied by employing an ab initio pseudopotential method and a linear response scheme, within the ...
Inverted oscillator

Çoruh, Ali (IOP PUBLISHING LTD, 2006)

The inverted harmonic oscillator problem is investigated quantum mechanically. The exact wavefunction for the confined inverted oscillator is obtained and it is shown that the associated energy eigenvalues are discrete, ...
Low-lying dipole strengths in Dy-162,Dy-164 nuclei

Yakut, Hakan (ACTA PHYSICA POLONICA B, JAGELLONIAN UNIV, INST PHYSICS, 2006)

Collective 1(+) scissors mode states of Dy-162,Dy-164 isotopes are investigated in the framework of the rotational-invariant QRPA model. Results are compared with the ones from both the nuclear resonance fluorescence (NRF) ...
Vibrational spectra and molecular structure of chiral and racemic 4-phenyl-1,3-oxazolidin-2-one by density functional theory and ab initio Hartree-Fock calculations

Atalay, Yusuf; Avcı, Davut; Başoğlu, Adil (PERGAMON-ELSEVIER SCIENCE LTD, 2006)

The vibrational frequencies and molecular geometry of (R)- and (rac)-4-phenly-1,3-oxazolidin-2-one (4-POO) in the ground state have been calculated using the Hartree-Fock and density functional method (B3LYP) with 6-31G(d) ...
Theoretical studies of molecular structure and vibrational spectra of 2-amino-5-phenyl-1,3,4-thiadiazole

Atalay, Yusuf; Avcı, Davut; Başoğlu, Adil (PERGAMON-ELSEVIER SCIENCE LTD, 2006)

The molecular geometry and vibrational frequencies of 2-amino-5-phenyl-1,3,4-thiadiazole (C8H7N3S) in the ground state has been calculated using the Hartree-Fock and density functional method (B3LYP) with 6-31G(d) basis ...
First-principles studies of ground-state and dynamical properties of MgS, MgSe, and MgTe in the rocksalt, zinc blende, wurtzite, and nickel arsenide phases

Duman, Sıtkı; Bağcı, Sadık; Tütüncü, Hüseyin Murat (AMERICAN PHYSICAL SOC, 2006)

An ab initio pseudopotential method is used to investigate the structural and electronic properties of MgS, MgSe, and MgTe in the rocksalt, zinc blende, wurtzite, and nickel arsenide phases. It is found that rocksalt is ...
Low-lying magnetic dipole strength distribution in the gamma-soft even-even Ba130-136

Ertuğral Yamaç, Filiz; Guliyev, Ali (SPRINGER, 2006)

In this study the scissors mode 1(+) states are systematically investigated within the rotational invariant Quasiparticle Random Phase Approximation (QRPA) for Ba130-136 isotopes. We consider the 1(+) vibrations generated ...