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Electronic Transfers and (NLO) Properties Predicted by AB Initio Methods with Prove Experimentally
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Hartree-Fock (HF) method relies in the calculations of nonlinear optical properties (NLO) for benzoic acid molecule. Also, another theoretical study is conducted by using the TD-DFT Density Functional Theory through B3LYP/High Base Set 6-311++G (2d,2p) on Gaussian program09. Moreover, an experimental study has been done to obtain the electrons spectrum for benzoic acid with and without ethanol. While the experimental study is done by using UV/VIS. spectrophotometer. Energy gap values of electronic transition between HOMO and LUMO is obtained from theoretical and experimental results. Consequently, the theoretical result for determining the energy gap calculated from EHOMO-LUMO wasvery close to the results of UV / VIS. spectrum. A theoretical method is considered extremely appropriate towards compounds capable of absorbing in vacuum UV.

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Publication Date
Sat Dec 01 2012
Journal Name
Iraqi Journal Of Physics
Study of the electronic structure of indium gallium phosphide In0.5Ga0.5P nanocrystals
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The electronic structure of zinc blend indium gallium phosphide In0.5Ga0.5P nanocrystals which have dimension (2-2.8 nm) is investigated using the density functional theory coupled with large unit cell (LUC) for the different size core (8 ,16,54,64) atoms respectively. The investigated properties include total energy, energy gap, conduction band, valence band, cohesive energy, ionicity and density of state etc. as a function of core size and lattice constant. Results show the shape effect of increasing the core size and lattice constant on these electronic properties

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Publication Date
Sat Feb 04 2023
Journal Name
Sport Tk-revista Euroamericana De Ciencias Del Deporte
Designing an electronic vest to evaluate movement abilities in foil fencers
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Fencing sport coaches seek fencers who have high velocity and work hard to develop it through training. The research problem lies on when measuring movement abilities through some tests. Manual measurement does not give reasonable impartiality of timing because there is a time-frame between the movement of the fencer and the speed of the movement of the human time setter. Therefore, the authors sought to design an electronic vest to evaluate movement abilities in foil fencers. The study design was experimental, with 12 Iranian foil fencers of the national team, who were divided into two equal groups of 6 fencers. Moreover, there were 12 students from Physical Education and Sport Sciences that worked on the scientific f

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Publication Date
Sun Apr 30 2023
Journal Name
Iraqi Journal Of Science
A Comparison Study the Effect of Doping by Ga2O3 and CeO2 On the Structural and Optical Properties of SnO2 Thin Films
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     This research deals with the effect of gallium oxide and cerium oxide as dopants on the structural and optical characteristics of tin oxide. Gallium and cerium oxide doped tin oxide was prepared with different doping concentrations (0, 0.03, 0.05 and 0.07) wt. pure and doped tin oxide thin films were prepared by the pulsed laser deposition technique. X-ray diffraction and UV-Visible spectrophotometer were employed to investigate both oxides doping effects. Results showed that all prepared samples have poly-crystalline structure with a preferred plane of crystal growth along (110), where the crystal size grew from 40.3 nm to 64.5 nm and to 43.5 nm for Ga2O3 and CeO2 doped tin oxide thin films, respectively. Transmittance dec

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Publication Date
Fri Mar 01 2019
Journal Name
Iraqi Journal Of Physics
Structural and optical properties of Fe- doped ZnO thin films prepared by Sol–Gel spin coating process and their photocatalytic activities
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Pure and Fe-doped zinc oxide nanocrystalline films were prepared
via a sol–gel method using -
C for 2 h.
The thin films were prepared and characterized by X-ray diffraction
(XRD), atomic force microscopy (AFM), field emission scanning
electron microscopy (FE-SEM) and UV- visible spectroscopy. The
XRD results showed that ZnO has hexagonal wurtzite structure and
the Fe ions were well incorporated into the ZnO structure. As the Fe
level increased from 2 wt% to 8 wt%, the crystallite size reduced in
comparison with the pure ZnO. The transmittance spectra were then
recorded at wavelengths ranging from 300 nm to 1000 nm. The
optical band gap energy of spin-coated films also decreased as Fe
doping concentra

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Publication Date
Thu Sep 01 2016
Journal Name
Journal Of Engineering
Effect of Using Porcelanite as Partial Replacement of Fine Aggregate on Roller Compacted Concrete with Different Curing Methods
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Roller-Compacted Concrete is a no-slump concrete, with no reinforcing steel, no forms, no finishing and wet enough to support compaction by vibratory rollers. Due to the effect of curing on properties and durability of concrete, the main purpose of this research is to study the effect of various curing methods (air curing, 7 days water curing, and permanent water curing) and porcelanite (local material used as an Internal Curing agent) with different replacement percentages of fine aggregate (volumetric replacement) on some properties of Roller-Compacted Concrete and to explore the possibility of introducing practical Roller-Compacted Concrete for road pavement with minimum requirement of curing. Specimens were sawed fro

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Publication Date
Wed Jun 01 2022
Journal Name
Baghdad Science Journal
Preparation and study of the Structural, Morphological and Optical properties of pure Tin Oxide Nanoparticle doped with Cu
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            In this study, pure SnO2 Nanoparticles doped with Cu were synthesized by a chemical precipitation method. Using SnCl2.2H2O, CuCl2.2H2O as raw materials, the materials were annealed at 550°C for 3 hours in order to improve crystallization. The XRD results showed that the samples crystallized in the tetragonal rutile type SnO2 stage. As the average SnO2 crystal size is pure 9nm and varies with the change of Cu doping (0.5%, 1%, 1.5%, 2%, 2.5%, 3%),( 8.35, 8.36, 8.67, 9 ,7, 8.86)nm respectively an increase in crystal size to 2.5% decreases at this rate and that the crystal of SnO2 does not change with the introduction of Cu, and S

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Publication Date
Wed Aug 17 2022
Journal Name
Aip Conference Proceedings
Study of some physical and mechanical properties of paper sheets treated with different polymeric adhesive solution
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The present researchers are trying to enhance the properties of paper sheet that used widely in many fields such as printing and packaging. The enhancement of paper quality is also possible to preserve paper documents of all kinds, as they are the true record, full of the history, achievements of the human being and the intellectual and cultural of the country. It is possible to improve its physical and mechanical properties and preserve them from damage through the use of some solutions of polymeric adhesives, which act as protective barriers against water and moisture penetration. The paper also has the advantage of porosity, which has been overcome by using three types of polymeric adhesives (Nitro Cellulose, Polyvinyl alcohol acetate, a

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Publication Date
Wed Dec 01 2021
Journal Name
Baghdad Science Journal
Analytical Solutions for Advanced Functional Differential Equations with Discontinuous Forcing Terms and Studying Their Dynamical Properties
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This paper aims to find new analytical closed-forms to the  solutions of the nonhomogeneous functional differential equations of the nth order with finite and constants delays and various initial delay conditions in terms of elementary functions using Laplace transform method. As well as, the definition of dynamical systems for ordinary differential equations is used to introduce the definition of dynamical systems for delay differential equations which contain multiple delays with a discussion of their dynamical properties: The exponential stability and strong stability

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Publication Date
Thu Jun 30 2022
Journal Name
Association Of Arab Universities Journal Of Engineering Sciences
The effect of soaking and wetting on the properties of the gypsum soil treated with polyurethane
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the shear strength parameters of the treated and untreated gypsum soil under the effect of four soaking and drying cycles has studied in this paper, moreover examined the effect of wetting and drying cycles on the collapse potential of the soil and comparing between the behavior of the treated and untreated gypsum soil under the effect of the two conditions. Gypsum soil sample brought from Sawa lake in Al Muthana governorate with the content of gypsum 65.5%, the polyurethane polymer (PP) was used with different percentages 3, 6, and 10% to enhance the mechanical properties of gypsum soil, model was prepared to achieve four soaking and drying cycle to the samples before testing, this model consists of an Aluminum plate base with dimensions 7

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Publication Date
Mon Dec 06 2021
Journal Name
Karbala International Journal Of Modern Science
Calculation and comparison of certain physical properties of sample irregular galaxies with the Milky Way galaxy
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