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Studying of Frequencies, Normal Modes of Vibration and Electronic Charge Densities of 5Radialene molecule

PM3 and DFT (6-311G/ B3LYP) level calculations were carried out for the 5Radialene molecule, which is exhibit D5h symmetry. The obtained equilibrium geometry was applied for the calculation of all 3N−6 vibration frequencies, and for the analysis of its normal coordinates and symmetry species, in addition to some physical properties such as heat of formation, total energy, dipole moment and energy difference of HOMO and LUMO levels (ΔELUMO-HOMO), using Gaussian-03 program. The so calculated frequencies according to DFT (6-311G/ B3LYP) fall in the ranges;
CH2 str. (3016-3098 cm-1), C=C str. (1662-1709cm-1), ring (C-C str.) (1268-1464 cm-1). δCH2 (890-1317cm-1), (δCCC) (562-631cm-1), γCH2 (738-946cm-1) and γring (γCCC) (14-805cm-1), and according to PM3 fall in the ranges;
CH2 str. (3124-3138cm-1), C=C str. (1873-1939cm-1), ring str. (C-C str.) (1289-1430cm-1). δCH2 (946-1503cm-1), (δCCC) (549-777cm-1), γCH2 (673-1007cm-1) and γring (γCCC) (54-785cm-1).
Other interesting correlations were also be obtained for the frequencies of similar vibrations. Distribution of electronic charge density on atoms of 5Radialene molecule were also calculated and studied.

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Publication Date
Sat Dec 01 2012
Journal Name
Journal Of Economics And Administrative Sciences
Impact of Electronic commerce In Imposition of taxes

That the possibility of imposing a tax on electronic commerce is increasing interest in it by governments in developed and developing countries alike, and there is interest in a logical by governments and bodies of taxation, in particular in developing countries erosion potential tax in the tax base resulting from the adoption of e-commerce if not mutation rules and tax legislation, local and international to take into account this important economic developments and how to keep up, said the combination of the taxation system is the only way to increase revenue needed to finance government spending on goods and services needed by society.

The most important conclusions reached by the rese

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Publication Date
Sat Apr 15 2023
Journal Name
Iraqi Journal Of Science
On some generalization of normal operators on Hilbert space

In this paper we introduce a new class of operators on Hilbert space. We
call the operators in this class, n,m- powers operators. We study this class
of operators and give some of their basic properties.

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Publication Date
Tue Sep 29 2020
Journal Name
Iraqi Journal Of Science
Modal Analysis of Vibration of Euler-Bernoulli Beam Subjected to Concentrated Moving Load

This paper investigates the modal analysis of vibration of Euler-Bernoulli beam subjected to concentrated load. The governing partial differential equation was analysed to determine the behaviour of the system under consideration. The series solution and numerical methods were used to solve the governing partial differential equation. The results revealed that the amplitude increases as the length of the beam increases. It was also found that the response amplitude increases as the foundation increases at fixed length of the beam.

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Publication Date
Wed Jul 31 2019
Journal Name
Journal Of Engineering
Experimental Investigation of Vibration Stress Relief of A106 Steel Pipe T-Welded Fittings

This research examines the use of vibratory treatments to reduce residual stresses in small welded parts. In this experimental investigation, a post weld vibration treatment was applied to T- A106 steel pipe fitting specimens to study the effect of the treatment on the residual stress and the hardness of the material. The vibratory stress relief treatment was carried out at different vibration frequency. The results have demonstrated that post-weld vibratory stress relief of small size fittings is possible and residual stress may be relieved, and the treatment may be an alternative method for heat treatment especially when unchange in dimensions and material stability are required.

 

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Publication Date
Wed Mar 15 2023
Journal Name
Bionatura
Estimating genetic parameters of maize hybrids and parents under different plant densities (Combining ability for yield and some other traits for maize Zea mays L.)

A field experiment was carried out in the fields of the Field Crops Department - Faculty of Agricultural Engineering Sciences. The study included five inbred lines (ZM43W (ZE), ZM60, ZM49W3E, ZM19, CDCN5), given numbers 1, 2, 3, 4 and 5) to study the hybrid vigor and both general and special combing ability (GCA, SCA) of the half diallel mating method, for the spring and fall seasons (2016). The genetic analysis shows that all crosses gave a positive hybrid vigor for grain yield per unit area at the two population densities. the highest value is 116.20% for cross (3´5 )at low density, and 89.22% for cross( 1´4 )at high density. The hybrid vigor for all crosses is positive at two densities for dry matter yield, crop growth rate an

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Publication Date
Tue May 01 2012
Journal Name
Iraqi Journal Of Physics
Nano-Scale core effects on electronic structure properties of gallium arsenide

Ab – initio density function theory (DFT) calculations coupled with Large Unit Cell (LUC) method were carried out to evaluate the electronic structure properties of III-V zinc blend (GaAs). The nano – scale that have dimension (1.56-2.04)nm. The Gaussian 03 computational packages has been employed through out this study to compute the electronic properties include lattice constant, energy gap, valence and conduction band width, total energy, cohesive energy and density of state etc. Results show that the total energy and energy gap are decreasing with increase the size of nano crystal . Results revealed that electronic properties converge to some limit as the size of LUC increase .

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Publication Date
Tue Jan 08 2019
Journal Name
Iraqi Journal Of Physics
Photoinduced interfacial charge transfer processes in solar photocatalysis degradation of methylene blue using nanostructured ZnO

In this research, design of advanced material for sunlight conversion requires focused research to obtain efficient photocatalytic system. Nanostructured ZnO was synthesized using spin coating technique. The structural, morphological and optical properties of annealed nanostructured ZnO thin film at 390 Co for 3 hours were characterized by x-ray diffraction, atomic force microscope AFM and UV-VIS spectrophotometer. Nanostructured ZnO was applied for removal Methylene Blue (MB) dye from water using sunlight induced photocatalytic process. Overall degradation of MB/ZnO was achieved after 120 minutes of sunlight irradiation while it needs more time for MB alone. The reaction rate constant fit pseudo first order for MB/ZnO degradation was 0.

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Publication Date
Fri Dec 14 2018
Journal Name
Iraqi National Journal Of Nursing Specialties
Association of Phantom Vibration and Ringing Syndrome and Job-Related Stress among Nurses in Al-Nasiriyah City

Objectives: The study aims to: (1) assess the prevalence of phantom vibration and ringing syndrome among
nurses, (2) determine the level of job-related stress among those nurses who are working at teaching hospitals in
Al- Nasiriyah city, and (3) identify the association between job-related stress and experience of phantom
vibration and ringing syndrome.
Methodology: : A descriptive design, cross-sectional study was used for the present study was carried out
from 4th December, 2017 to the 4th April, 2018 in order to determine the association of Phantom
Vibration and Ringing Syndrome with Job - Related Stress among nurses at Teaching Hospitals in AlNasiriyah
City , on a purposive (non-probability) sample was used in t

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Publication Date
Fri Jun 01 2007
Journal Name
Al-khwarizmi Engineering Journal
Investigation of heat transfer phenomena and flow behavior around electronic chip

Computational study of three-dimensional laminar and turbulent flows around electronic chip (heat source) located on a printed circuit board are presented. Computational field involves the solution of elliptic partial differential equations for conservation of mass, momentum, energy, turbulent energy, and its dissipation rate in finite volume form. The k-ε turbulent model was used with the wall function concept near the walls to treat of turbulence effects. The SIMPLE algorithm was selected in this work. The chip is cooled by an external flow of air. The goals of this investigation are to investigate the heat transfer phenomena of electronic chip located in enclosure and how we arrive to optimum level for cooling of this chip. These par

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Publication Date
Thu Apr 28 2022
Journal Name
Iraqi Journal Of Science
The calculation of the charge density distributions of the 1f-2p shell nuclei using the occupation numbers of the states

The charge density distributions (CDD) and the elastic electron scattering form factors, F(q), of the ground state for some 1f-2p shell nuclei, such as 74Ge, 76Ge, 78Se and 80Se nuclei have been calculated based on the use of occupation numbers of the states and the single particle wave functions of the harmonic oscillator potential with size parameters chosen to reproduce the observed root mean square charge radii for all considered nuclei. It is found that introducing additional parameters, namely β1 and β2 which reflect the difference of the occupation numbers of the states from the prediction of the simple shell model leads to a remarkable agreement between the calculated and experimental results of the charge density distributions

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