Yazar "Ozduran, Mustafa" için listeleme
-
Computational investigations of mechanical and dynamical properties of gold-based compounds (X3Au, X = Ti, Zr and V)
Al, Selgin; Arikan, Nihat; Ozduran, Mustafa; Iyigor, Ahmet (ELSEVIER SCIENCE BV, 2018)The structural, elastic, electronic and phonon properties of X3Au (X = Ti, Zr and V) compounds in the A15 structure were obtained in the framework of the density functional theory (DFT) within the generalized gradient ... -
The First Principle Study of Ni2ScGa and Ni2TiGa
Ozduran, Mustafa; Turgut, Kemal; Arikan, Nihat; Iyigor, Ahmet; Candan, Abdullah (AMER INST PHYSICS, 2014)We computed the electronic structure, elastic moduli, vibrational properties, and Ni2TiGa and Ni2ScGa alloys in the cubic L2(1) structure. The obtained equilibrium lattice constants of these alloys are in good agreement ... -
Infrared and Raman spectrum, molecular structure and theoretical calculation of 3,4-dichlorophenylboronic acid
Kurt, Mustafa; Sertbakan, T. Raci; Ozduran, Mustafa; Karabacak, Mehmet (ELSEVIER, 2009)In this work, the experimental and theoretical study on the structures and vibrations of 3,4-dichlorophenylboronic acid (3,4-dcpba, C6H3B(OH)(2)Cl-2) are presented. The Fourier Transform Infrared spectra (4000-400 cm(-1)) ... -
Investigation of structural, electronic, elastic and phonon properties of cubic spinel ZnM2O4(M = Co, Rh and Ir) compounds
Ozduran, Mustafa (ELSEVIER SCIENCE BV, 2019)The results obtained from ab initio calculations on ZnM2O4 (M = Co, Rh and Ir) compounds have been reported. The elastic constants, Bulk, Shear and Young modulus, and Poisson's ratios of the compounds are presented. In ... -
Molecular structure and vibrational spectra of 2-and 5-methylbenzimidazole molecules by density functional theory
Gulluoglu, M. Tahir; Ozduran, Mustafa; Kurt, Mustafa; Kalaichelvan, S.; Sundaraganesan, N. (PERGAMON-ELSEVIER SCIENCE LTD, 2010)The FT-IR and FT-Raman spectra of 2-methylbenzimidazole (2-MB) and 5-methylbenzimidazole (5-MB) molecules have been recorded between 400-4000 cm(-1) and 50-3500 cm(-1) region, respectively. The molecular geometry and ... -
The Structural, Electronic and Dynamic Properties of the L1(2)-type Co3Ti Alloy
Arikan, Nihat; Ozduran, Mustafa (AMER INST PHYSICS, 2014)The structural, electronic and dynamic properties of the cubic Co3Ti alloy in L1(2) structure have been investigated using a pseudopotential plane wave (PP-PW) method within the generalized gradient approximation proposed ...
