Güncel Gönderiler: Yayın Koleksiyonu
Toplam kayıt 221, listelenen: 41-60
-
Theoretical investigation on the molecular structure, Infrared, Raman and NMR spectra of para-halogen benzenesulfonamides, 4-X-C6H4SO2NH2 (X = Cl, Br or F)
(ELSEVIER SCIENCE BV, 2009)In the present study, the structural properties of para-halogen benzenesulfonamides, 4-XC6H4SO2NH2 (4-chlorobenzenesulfonamicle (I). 4-bromobenzenesulfonamide (II) and 4-fluorobenzenesulfonamide (III)) have been studied ... -
Pressure-induced phase transition of BeO
(PERGAMON-ELSEVIER SCIENCE LTD, 2009)A constant pressure ab initio technique is used to study the pressure-induced phase transition in BeO. A first order phase transition from the wurtzite structure to a rocksalt structure at 700.0 GPa is successfully observed ... -
Infrared and Raman spectrum, molecular structure and theoretical calculation of 3,4-dichlorophenylboronic acid
(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)) ... -
The structural phase transition of ZnSe under hydrostatic and nonhydrostatic compressions: an ab initio molecular dynamics study
(IOP PUBLISHING LTD, 2009)Ab initio constant pressure molecular dynamics simulations within a generalized gradient approximation (GGA) are carried out to study the structural phase transformation of ZnSe under hydrostatic and nonhydrostatic conditions. ... -
High-pressure phases of ZrO2: An ab initio constant-pressure study
(AMER PHYSICAL SOC, 2009)The high-pressure behavior of ZrO2 is studied using an ab initio constant-pressure technique up to 140 GPa. Two high-pressure phases of ZrO2 are predicted through constant-pressure simulations. ZrO2 undergoes a first-order ... -
Non-adiabatic small polaron hopping conduction in Nb-doped TiO2 thin film
(ELSEVIER SCIENCE BV, 2009)Transport properties of Nb-doped titanium oxide (TiO2) thin film, obtained by a RF sputtering technique, have been investigated by means of the electrical conductivity and the Seebeck coefficient as a function of temperature ... -
Experimental and theoretical FT-IR and FT-Raman spectroscopic analysis of N1-methyl-2-chloroaniline
(WILEY-BLACKWELL, 2009)In this work, the experimental and theoretical vibrational spectra of N1-methyl-2-chloroaniline (C7H8NCl) were studied. FT-IR and FT-Raman spectra of the title molecule in the liquid phase were recorded in the region ... -
Dependence of film thickness on the structural and optical properties of ZnO thin films
(ELSEVIER SCIENCE BV, 2009)ZnO thin films are prepared on glass substrates by pulsed filtered cathodic vacuum arc deposition (PFCVAD) at room temperature. Optical parameters such as optical transmittance, reflectance, band tail, dielectric coefficient, ... -
Large zero-field spin splitting in AlGaN/AlN/GaN/AlN heterostructures
(AMER INST PHYSICS, 2009)This work describes Shubnikov-de Haas (SdH) measurements in Al0.22Ga0.78N/AlN/GaN/AlN heterostructures. Our experiments coupled with the analysis of the Hall data at various temperatures confirm the formation of a ... -
FT-Raman and FT-IR spectral and quantum chemical studies on some flavonoid derivatives: Baicalein and Naringenin
(JOHN WILEY & SONS LTD, 2009)In this study, the experimental and theoretical results on the molecular structures of some flavonoid derivatives (Baicalein and Naringenin) are presented. The FT-IR and FT-Raman spectra of the compounds have been recorded ... -
FT-IR, FT-Raman vibrational spectra and molecular structure investigation of 2-chloro-4-methylaniline: A combined experimental and theoretical study
(PERGAMON-ELSEVIER SCIENCE LTD, 2009)In this work, the experimental and theoretical vibrational spectra of 2-Chloro-4-methylaniline (2Cl4MA, C7H8NCl) were Studied. FT-IR and FT-Raman spectra of 2Cl4MA in the liquid phase have been recorded in the region ... -
DX-center energy calculation with quantitative mobility spectrum analysis in n-AlGaAs/GaAs structures with low Al content
(ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD, 2009)Experimental Hall data that were carried out as a function of temperature (60-350 K) and magnetic field (0-1.4 T) were presented for Si-doped low Al content (x = 0.14) n-Al(x)Ga(1-x)As/GaAs heterostructures that were grown ... -
Pressure-induced phase transition in AIN: An ab initio molecular dynamics study
(ELSEVIER SCIENCE SA, 2009)An ab initio constant pressure technique is applied to study the pressure-induced phase transition in AIN. A first-order phase transformation from the wurtzite structure to a rocksalt structure is observed in the constant ... -
Theoretical and experimental study on metal(II) halide complexes of 1,3-bis(4-pyridyl)propane
(SPRINGER, 2009)We report the results of detailed experimental and theoretical studies on the molecular structure and vibrational spectra of metal(II) halide complexes of 1,3-bis(4-pyridyl)propane [M(N2C13H14)X-2, where M represents Zn ... -
Structural, electrical and optical characterization of InGaN layers grown by MOVPE
(IOP PUBLISHING LTD, 2009)We present a study on n-type ternary InGaN layers grown by atmospheric pressure metalorganic vapour phase epitaxy (MOVPE) on GaN template/(0001) sapphire substrate. An investigation of the different growth conditions on ... -
Pressure-induced phase transformation of 4H-SiC: An ab initio constant-pressure study
(EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY, 2009)The stability of 4H-SiC at high pressure is studied using a constant-pressure ab initio technique. For the first time, a first-order phase transformation into a rocksalt structure is observed in this material. The 4H-to-RS ... -
The effect of intrinsic defects on the hole transport in Cu2O
(NATL INST OPTOELECTRONICS, 2009)Structural and electrical properties of Cu2O bulk samples are characterized by X-Ray diffraction (XRD) and Hall effect measurements. The variation of the carrier concentration with temperature is explained in terms of the ... -
DFT, FT-Raman, FT-IR and NMR studies of 2-fluorophenylboronic acid
(WILEY-BLACKWELL, 2009)The experimental and theoretical vibrational spectra of 2-fluorophenylboronic acid (2fpba) were studied. The Fourier transform Raman and Fourier transform infrared spectra of the 2fpba molecule were recorded in the solid ... -
Analysis of vibrational spectra of 2 and 3-methylpiperidine based on density functional theory calculations
(PERGAMON-ELSEVIER SCIENCE LTD, 2009)The experimental and theoretical vibrational spectra of 2 and 3-methylpiperidine (abbreviated as 2-MP and 3-MP) were studied. The FT-Infrared spectra of 2-MP and 3-MP molecules were recorded in the liquid phase. The ... -
Crossover from Nearest-Neighbor Hopping Conduction to Efros-Shklovskii Variable-Range Hopping Conduction in Hydrogenated Amorphous Silicon Films
(JAPAN SOC APPLIED PHYSICS, 2009)We presented the results of optical and electrical studies of the properties of hydrogenated amorphous silicon (a-Si H) film which was prepared by hot wire method. Using transmittance measurements, the dielectric constant ...
