Density Functional Theory (DFT) with B3LYP hybrid exchange-correlation functional and 3-21G basis set and semi-empirical methods (PM3) were used to calculate the energies (total energy, binding energy (Eb), molecular orbital energy (EHOMO-ELUMO), heat of formation (?Hf)) and vibrational spectra for some Tellurium (IV) compounds containing cycloctadienyl group which can use as ligands with some transition metals or essential metals of periodic table at optimized geometrical structures.
Ab – initio restricted Hartree - Fock method within the framework of large unit cell (LUC) formalism is used to investigate the electronic structure of Si and Ge nanocrystals. The surface and core properties are investigated. A large unit cell of 8 atoms is used in the present analysis. Cohesive energy, energy gap, conduction and valence band widths are obtained from the electronic structure calculations. The results are compared with available experimental data and theoretical results of other investigators. The calculated lattice constant is found to be slightly larger than the corresponding experimental value because we use only 8 atoms and we compared the results with that of the bulk crystals, nanoclusters are expected to have str
... Show MoreThe focus of this paper is the presentation of a new type of mapping called projection Jungck zn- Suzuki generalized and also defining new algorithms of various types (one-step and two-step algorithms) (projection Jungck-normal N algorithm, projection Jungck-Picard algorithm, projection Jungck-Krasnoselskii algorithm, and projection Jungck-Thianwan algorithm). The convergence of these algorithms has been studied, and it was discovered that they all converge to a fixed point. Furthermore, using the previous three conditions for the lemma, we demonstrated that the difference between any two sequences is zero. These algorithms' stability was demonstrated using projection Jungck Suzuki generalized mapping. In contrast, the rate of convergenc
... Show MoreMonetary policy occupies a prominent role in achieving monetary stability by adjusting the growth rates of the number of available means of payment in line with changes in the size of the gross domestic product in the country and expressed by the monetary stability coefficient agreed upon by the International Monetary Fund, a term that hides the fact that there is a rate of change in the volume of commodity or real production which expresses the levels of aggregate supply in the economy, which corresponds to the quantities of cash in circulation, which represent a net purchasing power and stimulate aggregate demand, which completes the picture of the existence of the market mechanism, expressed by the monetary or economic stability
... Show MoreThe Nano compound (Ba1-xSrxTiO3) as (X=0,0.26,0.28,0.30,0.32,0.34) was synthesized by using sol-gel method, the structural properties of result compound were studied by using xray diffraction test (XRD) and scanning electron microscope (SEM). the results were exhibited and by using software indexing to x-ray diffraction pattern that all prepared samples possess tetragonal phase and there is not any other phases were existed. also the substitution process didn't change the phase of compound and increase in (Sr+2) ion concentration leads to decrease lattice parameters (a,c) then the unite cell volume was decreased, as the particle size calculated from Debye-Scherrer and Williamson-Hall equations , and the calculated dens
... Show MoreIn this work dithine complexes prepared from dithiol benzil ligand and central ion to the Ni,Pd,Pt, element the ligand and complexes have been investigated using FTIR spectrophotometer and uv-vis-NIR spectral reigns show higher intensity represents the ?-?* transition in the chromopher cycle .These absorption which appear in visible and near IR spectral regions ,According to the complexes of one group ,the spectral shifting due to the change of central ion has been found to be related to atomic number of central ion .This shifting is increased while decreasing the central ion atom number These complexes have been implemented in Nd+2:YAG cavity because each posses resonant absorption band near Nd+2:YAG, Nd+2:Glass emitting at (106
... Show MoreIn the present study, composites were prepared by Hand lay-up molding and investigated. The composites constituents were epoxy resin as the matrix, 6% volume fractions of Glass Fibers (G.F) as reinforcement and 3%, 6% of industrial powder (Calcium Carbonate CaCO3, Potassium Carbonate K2CO3 and Sodium Carbonate Na2CO3) as filler. Density, water absorption, hardness test, flexural strength, shear stress measurements and tests were conducted to reveal their values for each type of composite material. The results showed that the non – reinforced epoxy have lower properties than composites material. Measured density results had show an incremental increase with volume fraction increase
... Show MoreBackground: The Initial (primary) stability is one of the factors that play an important role in the success of the dental implants. The purpose of this study was to evaluate the initial stability of dental implant with horizontal plate by using five analytical tests: insertion torque, removal torque, resonance frequency analysis, push-in test and pull-out test. Materials and methods: Two different lengths of dental implants (5mm and 10mm) were tested in this study; each dental implant was 4mm in diameter with a square threads shape of 1mm pitch and 0.5mm depth. The crestal area was 4.2mm diameter contained a right angle margin circumferential ring while the apical area was tapered with two self-tapping grooves. In this study, the initial s
... Show MoreThe impact of a Schiff base namely 2-((thiophen-2-ylmethylene)amino)benzenethiol to corrode mild steel in 1 M HCl resolved was evaluated using different weight loss technique and scanning electron microscopy (SEM).different weight measurements to expand that the 2-((thiophen-2-ylmethylene) amino) benzenethiol inhibits the corrosion of mild steel through adsorbing of top for mild steel and block the active locality. The inhibitive impacts of 2-((thiophen-2-ylmethylene)amino)benzenethiol increase with increasing concentration and decrease with increasing temperature. SEM to checking revealed that the alloy surface was quite unaffected and formed protective film on its surface. The investigated
... Show MoreBackground: percutaneous balloon dilation of corotation of aorta is a less invasive and alternative to surgical repair for patients with discrete coaction of aorta and although the used of balloon angioplasty in patients with recurrent postoperative coarctation gained a wide consensus, the use this technique for native coarctation is still controversial in children less one years.
Objective: to evaluate the immediate and late result of balloon dilation of native coarctation of aorta in infant and children.
Type of the study: A prospective study.
Subjects & Methods: The study was done on forty-five patients who were referred for cardiac catheterization and balloon
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