Makale Koleksiyonu: Recent submissions

Now showing items 341-360 of 435

Synthesis, molecular conformation, vibrational, electronic transition, and chemical shift assignments of 4-(thiophene-3-ylmethoxy)phthalonitrile: a combined experimental and theoretical analysis

Çoruh, Ali; Yılmaz, Fevzi (SPRINGER/PLENUM PUBLISHERS, 2011)

This work presents the synthesis and characterization of a novel compound, 4-(thiophene-3-ylmethoxy)phthalonitrile (TMP). The spectroscopic properties of the compound were examined by FT-IR, FT-Raman, NMR, and UV techniques. ...
Ab initio calculation of phonons in bulk HfC and the HfC(001)(1 x 1) surface

Bağcı, Sadık; Tütüncü, Hüseyin Murat; Duman, Sıtkı (TAYLOR & FRANCIS LTD, 2011)

Structural, elastic and dynamical properties of the rock-salt HfC have been studied by employing an ab initio pseudopotential method and a linear response scheme, within the generalised gradient approximation. In addition ...
Second and third-order nonlinear optical properties and molecular parameters of azo chromophores: Semiempirical analysis

Avcı, Davut (PERGAMON-ELSEVIER SCIENCE LTD, 2011)

The static and frequency dependent average polarizability (<alpha >). first- and second-hyperpolarizabilities (<beta > and <gamma >) and highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital (LUMO) ...
Electronic and vibrational properties of the As : InP(110) and Sb : InP(110) surfaces

Tütüncü, Hüseyin Murat (AMER PHYSICAL SOC, 2002)

We have investigated the atomic geometry, electronic structure, and vibrational properties of the As and Sb deposited InP(110)-(1 X 1) surface by using a combination of the plane-wave pseudopotential method and an adiabatic ...
Electrical Properties of Zn-Phthalocyanine and Poly (3-hexylthiophene) Doped Nematic Liquid Crystal

Karakuş, Yusuf; Demir, Adem; Demir, Aydın (HINDAWI PUBLISHING CORPORATION, 2011)

An E7 coded nematic liquid crystal was doped with zinc phthalocyanine and poly (3-hexylthiophene). A variety of properties including relaxation time, absorption coefficient, and critical frequency of this doped system were ...
Energies and Land, factors for some excited levels in Lu I (Z=71)

Usta, Betül; Özdemir, Leyla (DE GRUYTER POLAND SP ZOO, 2011)

We have calculated relativistic energies and Land, factors for 5d6s (2), 5d (2)6s, 6s6p (2), 6s (2)7s, 5d (3), 5d6s7s, 6s (2)6p, 5d6s6p, 5d (2)6p and 6s (2)7p excited levels outside the core [Xe]4f (14) in neutral lutetium ...
Excitation Energies and E1, E2, and M1 Transition Parameters for Ac III

Ürer, Güldem; Özdemir, Leyla (PHYSICAL SOC REPUBLIC CHINA, 2011)

We report on a relativistic multiconfiguration Dirac-Fock calculation including the transverse Breit and quantum electrodynamic contribution on the low-lying level structure of doubly ionized actinium (Z = 89). Excitation ...
Electric Dipole Transitions for Neutral Ytterbium (Z=70)

Usta, Betül; Özdemir, Leyla (KOREAN PHYSICAL SOC, 2011)

We have calculated the electric dipole transition parameters (wavelengths, weighted oscillator strengths, and transition probabilities) for some excited levels in neutral ytterbium (Yb I, Z = 70) by using two configuration ...
THE INHOMOGENEOUS INVARIANCE QUANTUM GROUP OF Q-DEFORMED BOSON ALGEBRA WITH CONTINUOUS PARAMETERS

Arıkan, Ali Serdar (TAYLOR & FRANCIS LTD, 2011)

We present a q-deformed boson algebra using continuous momentum parameters and investigate its inhomogeneous invariance quantum group.
FT-IR, UV-vis, H-1 and C-13 NMR spectra and the equilibrium structure of organic dye molecule disperse red 1 acrylate: A combined experimental and theoretical analysis

Çoruh, Ali (PERGAMON-ELSEVIER SCIENCE LTD, 2011)

This study reports the characterization of disperse red 1 acrylate compound by spectral techniques and quantum chemical calculations. The spectroscopic properties were analyzed by FT-IR. UV-vis, H-1 NMR and C-13 NMR ...
Energies, Lande Factors, and Lifetimes for Some Excited Levels of Neutral Ytterbium (Z=70)

Usta, Betül; Özdemir, Leyla (POLISH ACAD SCIENCES INST PHYSICS, 2011)

We have calculated relativistic energies, Lande factors, and lifetimes for some excited levels outside the core [Xe] in neutral ytterbium (Yb I, Z = 70) using two configuration interaction methods (multiconfiguration ...
Transition Energies of Ytterbium (Z=70)

Usta, Betül; Özdemir, Leyla (VERLAG Z NATURFORSCH, 2011)

Transition energies of neutral ytterbium (Yb I, Z = 70, belonging to the lanthanide series), including ionization potential, excitation energies, and electron affinity are calculated by the multiconfiguration Hartree-Fock ...
Preparation of Ag-M (M: Fe, Co and Mn)-ZSM-5 bimetal catalysts with high performance for catalytic oxidation of ethyl acetate

Delibaş, Nagihan (TAYLOR & FRANCIS LTD, 2011)

The catalytic combustion of ethyl acetate has been investigated in a series of mono-metal silver and bimetal Ag-M (M: Fe, Co and Mn)-modified HZSM-5 zeolites. The objective was to find a catalyst with high superior activity, ...
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 ...