The present work shows a theoretical results that have been used the functional Hybrid of three parameters Lee-Yang-Parr (B3LYP) of the quantum mechanical approach for density functional theory with (Spanish Initiative for Electronic Simulations with Thousands of Atoms) SIESTA code. All calculations were carried out employing the used method at the Gaussian 09 package of programs. It was reported the main point for research on dominance of the bandgap of elongated pi-conjugated molecules by using different chemical groups replacing hydrogen atom in the most molecules that used in this work. The side groups creates another factor that controls the value of the band gap. The dihedral angle between the two phenyl rings plays more important role in controlling the band gap in these molecules.
the influence of permeability tensor upon drainage of anisotropic soils under ponded water and steady recharge (rainfall) is theoretically investigated. Tensorial permeability has led to the formulation of mixed type partial differential equations. Since there is no analytical solution to this problem, the formulation is therefore solved numerically by the method of finite elements. The finite element formulation is implemented into a computer model which can be applied to any problem of seepage under steady state
conditions. Two different example problems representing two different flow conditions under full anisotropy have been studied. Results of the model for the isotropic case were checked against exact mathematical solutions de
The primary aim of this study was to identify the effect of using the simultaneous electronic presentations strategy in teaching basic skills of basketball to second-grade intermediate students. The present study had a parallel group, pre-post experimental design. In the present study the students of the Salah al-Din Intermediate School for the academic year 2020-2021 constituted the research community. A total of 75 students were present in the research community. Out of 75 students 16 students were selected as the participants for the study. The students falling within the age group of 13-14 years were recruited as the study participants, making up a percentage of 21.33 of the total number. Based on the results of th
... Show MoreRock mechanical properties are critical parameters for many development techniques related to tight reservoirs, such as hydraulic fracturing design and detecting failure criteria in wellbore instability assessment. When direct measurements of mechanical properties are not available, it is helpful to find sufficient correlations to estimate these parameters. This study summarized experimentally derived correlations for estimating the shear velocity, Young's modulus, Poisson's ratio, and compressive strength. Also, a useful correlation is introduced to convert dynamic elastic properties from log data to static elastic properties. Most of the derived equations in this paper show good fitting to measured data, while some equations show scatters
... Show MoreIn this research PbS and PbS:Cu films were prepered with thicknesses (0.85±0.05)?m and (0.55±0.5)?m deposit on glass and silicon substrate respectively using chemical spray pyrolysis technique with a substrate temperature 573K, from lead nitrate salt, thiourea and copper chloride. Using XRD we study the structure properties for the undoped and doped films with copper .The analysis reveals that the structure of films were cubic polycrystalline FCC with a preferred orientation along (200) plane for the undoped films and 1% doping with copper but the orientation of (111) plane is preferred with 5% doping with the rest new peaks of films and appeared because of doping. Surface topography using optical microscope were be checked, it was found
... Show MoreThe present study investigates deep eutectic solvents (DESs) as potential media for enzymatic hydrolysis. A series of ternary ammonium and phosphonium-based DESs were prepared at different molar ratios by mixing with aqueous glycerol (85%). The physicochemical properties including surface tension, conductivity, density, and viscosity were measured at a temperature range of 298.15 K – 363.15 K. The eutectic points were highly influenced by the variation of temperature. The eutectic point of the choline chloride: glycerol: water (ratio of 1: 2.55: 2.28) and methyltriphenylphosphonium bromide:glycerol:water (ratio of 1: 4.25: 3.75) is 213.4 K and 255.8 K, respectively. The stability of the lipase enzyme isolated from porcine pancreas (PPL) a
... Show MoreThe present study was conducted to determine the effect of Manganese on Histopathological changes in testes. Manganese Chloride was given to white mice with oral containing 150_200 and 250 mg/kg for periods of 15_30 and 45 days. The present study recorded the existence of histopathological symptoms in the testes, such as degeneration and necrosis in the tubules, congestion inside blood vessels and Edema in the interstitial tissue, as well as the appearance of giant cells inside the seminiferous tubules.