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Quantum Mechanical Study Using the DFT Method of the Structure, Stability and Vibrationalmosion of the Ketones of Cyclopropane
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  In this study a DFT calculation on cyclopropanone, cyclopropandione and cyclopropantrione molecules was performed using the basis function 6-31G ** / MP2 and exchange correlation potential B3-LYP. The results showed that the ground state of all molecules geometry belong to the point group 𝐶2𝑣where a vibronic coupling between the vibrational motion with the electronic ground state in the molecule C3O3 this leads to a reduction in symmetry of the molecule from𝐷3ℎto 𝐶2𝑣, the driving force of this process is accessing to the electronic configuration complies with Hückel aromatic systems with two electrons. Also in this, study the normal modes of vibration, frequencies, intensities and symmetry species. Finally the strain angular energy of molecules was calculated in a manner of isodesmic reaction

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Publication Date
Sat Jun 15 2019
Journal Name
Journal Of The College Of Basic Education
The Effect Of Phoenix Dactylifera L. Pinnae Reinforcement On The Mechanical And Thermal Properties Of Polymer Composite
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Phoenix dactylifera l. pinnae (the green leaves of dates palm) were used as natural reinforcing (strengthening) fibers to improve the mechanical properties of polyester as a matrix material, the fibers of the green leaves of dates palm were used in two lengths, 10 and 20mm with five rates of 0, 2.5, 5, 10, and 20% , where the reinforcing with the leaves fibers increases the hardness strength from 76.5 to be about 86.55 , the Impact value raised from about 0.313 to 0.461 , in addition to that the flexural strength from 2.66 to be about 55 , and the thermal conductivity increases from 2.54 𝑤∕𝑚.℃ to 5.41 𝑤∕𝑚.℃. The results of the present search explains that the composite samples reinforced at rate 20% and 10mm fiber length

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Publication Date
Tue Sep 11 2018
Journal Name
Iraqi Journal Of Physics
The effects of silica addition on the structural, electrical and mechanical characteristics of MgAl2O4 spinel ceramic phase
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The ceramic compound Mg1-xSixAl2O4 (x= 0, 0.1, 0.2, 0.3, 0.4) was prepared from nano powder of Al2O3 and MgO doped with Nano powder of SiO2 at different molar ratios. The specimens were prepared by standard chemical solid reaction technique and sintered at 1450 oC. Structure of the specimens was analyzed by using X-ray diffraction (XRD). The X-ray patterns of the specimens showed the formation of pure simple cubic spinel structure MgAl2O4 phase with space group of ̅ . The average grain size and surface topology were studied by atomic force microscopy. The results showed that the average grain size was about 73-90 nm. The DC electrical properties of the specimen were measured. The apparent density was found to increase and the porosity a

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Publication Date
Sat Feb 01 2020
Journal Name
Optik
Composition effects on formation energies, electronic and vibrational properties of ZnCdS wurtzoid molecules: A DFT study
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Publication Date
Fri Jan 20 2023
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Using the Size Strain Plot Method to Specity Lattice Parameters
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X-ray diffractometers deliver the best quality diffraction data while being easy to use and adaptable to various applications. When X-ray photons strike electrons in materials, the incident photons scatter in a direction different from the incident beam; if the scattered beams do not change in wavelength, this is known as elastic scattering, which causes amplitude and intensity diffraction, leading to constructive interference. When the incident beam gives some of its energy to the electrons, the scattered beam's wavelength differs from the incident beam's wavelength, causing inelastic scattering, which leads to destructive interference and zero-intensity diffraction. In this study, The modified size-strain plot method was used to examin

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Publication Date
Tue Jun 01 2021
Journal Name
Baghdad Science Journal
The Energy Spectra and Heat Capacity of GaAs Gaussian Quantum Dot in an External Magnetic Field
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In this paper, a theoretical study of the energy spectra and the heat capacity of one electron quantum dot with Gaussian Confinement in an external magnetic field are presented. Using the exact diagonalization technique, the Hamiltonian of the Gaussian Quantum Dot (GQD) including the electron spin is solved. All the elements in the energy matrix are found in closed form. The eigenenergies of the electron were displayed as a function of magnetic field, Gaussian confinement potential depth and quantum dot size. Explanations to the behavior of the quantum dot heat capacity curve, as a function of external applied magnetic field and temperature, are presented.

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Publication Date
Sat Jun 21 2025
Journal Name
Journal Of Baghdad College Of Dentistry
An Evaluation of Some Mechanical Properties of Autopolymerizing Acrylic Resin with the Modified One after Changing the Curing Environment: (In vitro Study)
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Background: Studying and investigating the transverse strength(Ts), impact strength(Is), hardness (Hr) and surface roughness(Ra) of conventional and modified autopolymerizing acrylic resin with different weight percentages of biopolymer kraftlignin, after curing in different water temperatures; 40°C and 80°C. Material and Methods: Standard acrylic specimens were fabricated according to ADA specification No.12 for transverse strength, ISO 179 was used for impact testing, Shore D for hardness and profilometerfor surface roughness. The material lignin first dispersed in the monomer, then the powder PMMA is immediately added. Ligninadded in different weight percentages. Then cured using pressure pot (Ivomet) in two temperatures;40°C a

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Publication Date
Mon Feb 10 2025
Journal Name
Aip Conference Proceedings
Development of an HPLC method for the determination of tramadol hydrochloride using ZIC-HILIC columns
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Publication Date
Wed Nov 01 2017
Journal Name
Journal Of Engineering
Development the Mechanical Properties of (AL-Li-Cu) Alloy
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The aim of this research is to develop mechanical properties of a new aluminium-lithium-copper alloy. This alloy prepared under control atmosphere by casting in a permanent metal mould. The microstructure was examined and mechanical properties were tested before and after heat treatment to study the influence of heat treatment on its mechanical properties including; modulus of elasticity, tensile strength, impact, and fatigue. The results showed that the modulus of elasticity of the prepared alloy is higher than standard alloy about 2%. While the alloy that heat treated for 6 h and cooled in water, then showed a higher ultimate tensile stress comparing with as-cast alloy. The homogenous heat treatment gives best fatigue

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Publication Date
Sun Jan 24 2016
Journal Name
Al-academy
The Creative Imagination In the structure of Designed work: أيمان طه ياسين
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In the marsh of the vast technical development and its reflections on the public life in all of its forms man lives in the shade of this and that and he is in a disprate need to took attentively at his reality through a new artistic vision which the imagination gives it , its value, from this point we find the designers pay great efforts in creating advertising designs that creation and fertile imagination are consisting one unit, and through her flying study on the reality of employing the creative imagination in the designing of printed advertisements, the researcher submitted her questions where some of which are: -What are the requirements of employing the creative imagination in the designing process? And -What are the machineries o

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Publication Date
Thu Jul 01 2004
Journal Name
Bulletin Of The Iraq Natural History Museum (p-issn: 1017-8678 , E-issn: 2311-9799)
DETECTION OF SUBSURFACE CAVITIES BY THE ELECTROMAGNETIC METHOD (Case Study at Haditha Area)
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Two EM techniques, terrain conductivity and VLF-Radiohm resistivity (using two
different instruments of Geonics EM 34-3 and EMI6R respectively) have been applied to
evaluate their ability in delineation and measuring the depth of shallow subsurface cavities
near Haditha city.
Thirty one survey traverses were achieved to distinguish the subsurface cavities in the
investigated area. Both EM techniques are found to be successfiul tools in study area.

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