• Structural Phase Transformation, Intermediate States and Electronic Properties of PbTe Under High Pressure 

  Öztürk, Hülya; Arslan, Gözde Gül; Kürkçü, Cihan; Yamcicier, Çağatay (Springer, 2020)

  In this work, density functional theory calculations in the framework of local density approximation (LDA) are performed using the Siesta software package in order to theoretically predict the phase transition mechanism ...

• Structural, elastic, electronic, and magnetic properties of Si-doped Co2MnGe full-Heusler type compounds 

  Özduran, Mustafa; Candan, Abdullah; Akbudak, Salih; Kushwaha A.K.; iyigör, A. (Elsevier Ltd, 2020)

  The structural, electronic, magnetic and elastic properties of Co2MnGe1-xSix (x = 0, 0.25, 0.50, 0.75, and 1) compounds are investigated by first-principles calculations within the generalized gradient approximation (GGA). ...

• Molecular structure, quantum chemical and spectroscopic properties of 2,6-dibromonaphthalene by density functional theory calculations 

  Sertbakan, Tevfik Raci; Özçelik, Fatma Nur (Elsevier, 2022)

  In this work, the quantum chemical calculations were performed by means of the Gaussian09 packet pro-gram, using DFT in gas phase at the B3LYP level, with cc-pVDZ, cc-pVTZ, 6-31G(d,p) and 6-311G(d,p) basis sets. The most ...

• Investigation of structural, electronic and elastic properties of matlockite-type SrFI under high pressure: An Ab-initio study 

  Öztürk, Hülya; Güzel, Yılaydın; Kürkçü, Cihan (ELSEVIER, 2021)

  In this study, Matlockite (PbFCl) type SrFI compound with a two-dimensional layered structure has been studied using density functional theory (DFT) and generalized gradient approximation (GGA) under high hydrostatic ...

• Experimental (FT-IR and FT-Raman spectra) and theoretical (ab initio HF, DFT) study of 2-chloro-5-methylaniline (vol 892, pg 25, 2008) 

  Karabacak, Mehmet; Karagoez, Dilek; Kurt, Mustafa (ELSEVIER SCIENCE BV, 2009)

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• Comparison between planar, SPECT and SPECT/computed tomography systems in 99mTc-nanocolloid sentinel lymph node imaging: phantom design and clinical investigations (vol 40, pg 786, 2019) 

  Isikci, Nazenin Ipek; Abuqbeitah, Mohammad; Gunay, Osman; Yeyin, Nami; Uslu-Besli, Lebriz; Sager, Sait; Yasar, Dogan (LIPPINCOTT WILLIAMS & WILKINS, 2019)

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• FT-IR, FT-Raman, NMR spectra, and molecular structure investigation of 2,3-dibromo-N-methylmaleimide: A combined experimental and theoretical study (vol 892, pg 125, 2008) 

  Karabacak, Mehmet; Coruh, Ali; Kurt, Mustafa (ELSEVIER SCIENCE BV, 2009)

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• Electrical characterization of interdigitated humidity sensors based on CNT modified calixarene molecules 

  Ozbek C.; Culcular E.; Okur S.; Yilmaz M.; Kurt M. (2013)

  In this study, we report on the optimization and characterization of chloroform soluble calix[4]arene derivative as a humidity sensor based on electrical properties. Due to the fact that calix[4]arene molecules are ...

• RXTE observations of cyg X-3 

  Özdemir S.; Méndez M.; Van Der Klis M.; White N.E. (2009)

  Timing data analysis of the bright X-ray source Cyg X-3 based on RXTE/PCA was presented. The observations were carried out in August 1996 and February 1997. All observations showed the 4.h8 modulation due to the orbital ...

• The Starspot Activities of Active Binary XY UMa from 2004 to 2005 

  Gu, Sheng-hong; Ozdemir, Sacit; Kim, Kang Min (ASTRONOMICAL SOC PACIFIC, 2012)

  We observed the active binary XY UMa by using 40cm telescope and CCD camera of Canakkale Observatory, 1m telescope and CCD camera of Yunnan Observatory in 2004 and 2005. The obtained BVRI photometric light curves are ...

• 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 ...

• Synthesis, antimicrobial activity and vibrational spectra OF 4-(2-pyridylazo) resorcinol monosodium and its complexes 

  Kurt, Mustafa; Erdem, Belgin; Korkut, Sinem Zahide; Ciftci, Harun (CURRENT BIOLOGY LTD, 2013)

  …

• Vibrational analysis of flavone 

  Erdogdu Y.; Ünsalan O.; Güllüoglu M.T. (2009)

  In this study, the experimental and theoretical study on the structures and vibrations of flavone are presented. FT-IR and FT-Raman spectra of the molecule have been recorded in the 400-4000 cm-1 region and the 5-3500 cm-1 ...

• Structural and Vibrational Spectroscopy Investigation of the 5-[(diphenyl) amino] Isophthalic Acid Molecule 

  Kurt, M.; Sas, E. Babur; Can, M.; Okur, S.; Icli, S.; Demic, S. (AMER INST PHYSICS, 2014)

  The molecular structure and vibrations of 5-(diphenyl) amino] isophthalic acid (DPIFA) were investigated by different spectroscopic techniques (such as infrared and Raman). FT-IR, FT-Raman and dispersive Raman spectra were ...

• Formation of a two-dimensional layered structure in silica under shear stresses: An ab initio study 

  Durandurdu M. (2010)

  The behavior of ?-cristobalite under pure shear stresses is studied using an ab initio technique. The application of shear stress on the a-b planes yields a two-dimensional layered monoclinic phase with C2 space group via ...

• The role of metal catalyst on water permeation and stability of bace 0.8 y 0.2 o 3-? 

  Al S.; Zhang G. (Korean Electrochemical Society, 2018)

  Perovskite type ceramic membranes which exhibit dual ion conduction (proton and oxygen ion conduction) can permeate water and can aid solving operational problems such as temperature gradient and carbon deposition associated ...

• Synthesis, molecular conformation, vibrational and electronic transition, isometric chemical shift, polarizability and hyperpolarizability analysis of 3-(4-Methoxy-phenyl)-2-(4-nitro-phenyl)-acrylonitrile: A combined experimental and theoretical analysis 

  Asiri A.M.; Karabacak M.; Kurt M.; Alamry K.A. (2011)

  This work presents the synthesis and characterization of a novel compound, 3-(4-Methoxy-phenyl)-2-(4-nitro-phenyl)-acrylonitrile (abbreviated as 3-(4MP)-2-(4-NP)-AN, C 16H 12N 2O 3). The spectroscopic properties of the ...

• Pressure-induced phase transformations, electronic properties and intermediate phases of chromium dioxide 

  Öztürk H.; Kürkçü C. (Polish Academy of Sciences, 2019)

  We study pressure-induced phase transformations of chromium dioxide (CrO2) using constant pressure ab initio simulations. A first-order phase transformation from the rutile-type structure to the CaCl2-type structure is ...

• Optimization of alloy composition, interlayer and barrier thicknesses in AlxGa1-xN/(AlN)/GaN high electron mobility transistors 

  Lisesivdin, S. B.; Yildiz, A.; Kasap, M. (NATL INST OPTOELECTRONICS, 2007)

  The investigating of the GaN-based high electron mobility transistors (HEMTs) is focused to achieve two goals: increase of carrier density and mobility. Increasing the number of the carriers in the 2-dimensional-electron-gas ...

• Computational note on molecular structure and vibrational spectra of 6-and 8-methylquinoline molecules by quantum mechanical methods 

  Kurt, M.; Yurdakul, S. (ELSEVIER SCIENCE BV, 2007)

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