• Phosphorus-nitrogen compounds. 14. Synthesis, stereogenism, and structural investigations of novel N/O spirocyclic phosphazene derivatives 

  Delibaş, Nagihan (AMER CHEMICAL SOC, 2007)

  The reactions of hexachlorocyclotriphosphazatriene, N3P3Cl6, with N/O donor-type N-alkyl-o-hydroxybenzyl- and o-hydroxynaphthylamines result in novel mono-(3a, 4a and 4b), di- (5a and 5b), and tri- (3b, 6a, and 6b) spirocyclic ...
• Theoretical studies of electronic states and phonon modes on the TiC(001)(1 x 1) surface 

  Tütüncü, Hüseyin Murat (ELSEVIER SCIENCE BV, 2007)

  We present a comprehensive picture of structural and electronic properties of the TiC(001)(1 x 1) surface. Our investigations are based on first-principles calculations within the local-density approximation of the ...
• Ab initio calculations of structural, electronic and dynamical properties of BeSe(110) surface 

  Bağcı, Sadık; Tütüncü, Hüseyin Murat (ELSEVIER SCIENCE BV, 2007)

  We use an ab initio pseudopotential method within the local-density approximation to determine the structural and electronic properties of the BeSe(1 1 0) surface. The relaxed geometry of this surface shows tilted cation-anion ...
• Diaquabis(N,N-diethylnicotinamide-kappa N)-bis(4-fluorobenzoato-kappa O)zinc(II) 

  Delibaş, Nagihan (INT UNION CRYSTALLOGRAPHY, 2007)

  The title compound, [Co(C7H4FO2)2(C6H6N2O)2(H2O)2], is a three-dimensional hydrogen-bonded supra­molecular com­plex. The CoII ion resides on a centre of symmetry and is in an octa­hedral coordination environment comprising ...
• 2-(1H-Benzimidazol-1-yl)-1-(furan-2-yl)-ethanone O-2,4-dichlorobenzyloxime 

  Delibaş, Nagihan (INT UNION CRYSTALLOGRAPHY, 2007)

  In the title compound, C20H15Cl2N3O2, intra­molecular C-H...O hydrogen bonding causes the formation of a planar six-membered ring, which is also coplanar with the adjacent furan ring. The benzimidazole ring system is also ...
• 3a,4,10,10b-tetrahydro-2H-furo[2,3-a]carbazol-5(3H)-one 

  Delibaş, Nagihan (INT UNION CRYSTALLOGRAPHY, 2007)

  The asymmetric unit of the title compound, C14H13NO2, contains two independent molecules. In the indole ring system, the benzene and pyrrole rings are nearly coplanar, the dihedral angles being 0.48 (17) and 1.26 (17)degrees. ...
• N,N-Bis[2-(2-furyl)-2-(hydroxyimino)ethyl]aniline 

  Delibaş, Nagihan (INT UNION CRYSTALLOGRAPHY, 2007)

  In the crystal structure of the title compound, C18H17N3O4, intramolecular C - H center dot center dot center dot O hydrogen bonds cause the formation of two planar five-membered rings, which are also coplanar with the ...
• 2-(1H-Benzimidazol-1-yl)-1-(2-furyl)-3-phenylpropan-1-one 

  Delibaş, Nagihan (INT UNION CRYSTALLOGRAPHY, 2007)

  In the molecule of the title compound, C20H16N2O2, the planar benzimidazole system is oriented with respect to the furan and phenyl rings with dihedral angles of 87.41 (10) and 61.65 (5)degrees, respectively. In the crystal ...
• 2-(1H-benzimidazol-1-yl)-1-phenylethanone oxime 

  Delibaş, Nagihan (INT UNION CRYSTALLOGRAPHY, 2007)

  In the molecule of the title compound, C15H13N3O, intramolecular C-H center dot center dot center dot O hydrogen bonding causes the formation of a planar five-membered ring. The oxime unit has an E configuration. In this ...
• Ab initio investigations of phonon anomalies and superconductivity in the rock-salt YS 

  Tütüncü, Hüseyin Murat (TAYLOR & FRANCIS LTD, 2007)

  The phonon spectrum, phonon linewidths and electron-phonon coupling parameter for YS have been calculated by using a first-principles scheme, based on the application of the plane-wave pseudopotential method, density ...
• Dielectric relaxation in ferroelectric TlInS2 layered crystals within metastable chaotic state 

  Şentürk, Erdoğan (WILEY-V C H VERLAG GMBH, 2007)

  The results of investigations low frequency dielectric relaxation in layered ferroelectric TlInS2 crystals are presented. The measurements were performed in the temperature range of 180-230 K and in the frequency range of ...
• Phonon spectrum and density of states on GaAs(001)-beta(2)(2x4) 

  Tütüncü, Hüseyin Murat (AMER PHYSICAL SOC, 2007)

  We have studied the lattice dynamics of the GaAs(001)-beta(2)(2x4) surface by employing two theoretical methods: an ab initio pseudopotential method and a phenomenological adiabatic bond-charge method. Both methods predict ...
• Diaquabis(4-bromobenzoato-kO)-bis(nicotinamide-kappa N-1)cobalt(II) 

  Delibaş, Nagihan (INT UNION CRYSTALLOGRAPHY, 2007)

  The title complex, [Co(C7H4BrO2)(2)(C6H6N2O)(2)(H2O)(2)], is monomeric and centrosymmetric, and contains two water molecules, two 4-bromobenzoate (BB) anions and two nicotinamide (NA) ligands, all acting as monodentate ...
• Energy and oscillator strength calculations using H-F with relativistic corrections 

  Özdemir, Leyla; H Karal (PERGAMON-ELSEVIER SCIENCE LTD, 1999)

  Term energies, ionization energies, inner-shell energy differences and oscillator strengths for some atoms and ions have been calculated within the framework of H-F with relativistic corrections. The wave functions and ...
• A theoretical study on 1-(thiophen-2-yl-methyl)-2-(thiophen-2-yl)-1H-benzimidazole 

  Atalay, Yusuf; Avcı, Davut; Başoğlu, Adil (PERGAMON-ELSEVIER SCIENCE LTD, 2007)

  The molecular geometry and vibrational frequencies of 1-(thiophen-2-yl-methyl)-2-(thiophen-2-yl)-1H-benzimidazole (C16H12N2S2) in the ground state has been calculated using the Hartree-Fock (HF) and density functional ...
• Electronic, elastic and phonon properties of the rock-salt LaSb and YSb 

  Tütüncü, Hüseyin Murat; Bağcı, Sadık (IOP PUBLISHING LTD, 2007)

  The electronic structures and elastic constants of LaSb and YSb are calculated using an ab initio pseudopotential scheme within the generalized gradient approximation. In agreement with experimental studies, it has been ...
• A theoretical study on N-phenyl-N '-(2-thienylmethylene)hydrazine 

  Atalay, Yusuf (PERGAMON-ELSEVIER SCIENCE LTD, 2007)

  The molecular geometry and vibrational frequencies of N-phenyl-AP-(2-thienyimethylene)hydrazine (C11H10N2S) have been calculated using Hartree-Fock and density functional method (B3LYP) with 6-31G(d) basis set. The optimized ...
• Theoretical studies of molecular structure and vibrational spectra of melaminium citrate 

  Atalay, Yusuf; Avcı, Davut (PERGAMON-ELSEVIER SCIENCE LTD, 2007)

  The molecular geometry and vibrational frequencies of melaminium citrate in the ground state have been calculated using the Hartree-Fock (HF) and density functional method (B3LYP) with 6-31G(d) basis set. The optimized ...
• Bias field induced impedance relaxation of TlGaSe2 semiconducting layered crystal at room temperature 

  Şentürk, Erdoğan (WILEY-V C H VERLAG GMBH, 2007)

  Complex Impedance Spectroscopy has been employed for the study of absorption kinetics at TIGaSe2 layered crystal under Bias voltage at room temperature. Two relaxations mechanisms have been observed. The crystal has "slow" ...
• On the one-parameter Lorentzian spherical motions and Euler-Savary formula 

  Tosun, Murat; Güngör, Mehmet Ali; Okur, İbrahim (ASME, 2007)

  In this paper we have introduced one-parameter Lorentzian spherical motion. In addition to that, we have given the relations between the absolute, relative, and sliding velocities of these motions. Furthermore, the relations ...

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