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HOMO-LUMO Energies and Geometrical Structures Effecton Corrosion Inhibition for Organic Compounds Predict by DFT and PM3 Methods
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A theoretical study on corrosion inhibitors was done by quantum calculations includes semi-empirical PM3 and Density Functional Theory (DFT) methods based on B3LYP/6311++G (2d,2P). Benzimidazole derivative (oxo(4- ((phenylcarbamothioyl) carbamoyl)phenyl) ammonio) oxonium (4NBP) and thiourea derivative 2-((4- bromobenzyl)thio) -1H-benzo[d] imidazole (2SB) were used as corrosion inhibitors and an essential quantum chemical parameters correlated with inhibition efficiency, EHOMO (highest occupied molecular orbital energy) and ELUMO (lowest molecular orbital energy). Other parameters are also studied like energy gap [ΔE (HOMO-LUMO)], electron affinity (EA), hardness (Δ), dipole moment (μ), softness (S), ionization potential (IE), absolute electron negativity (χ), and global electrophilicity index (ω) respectively. Mulliken population was also essential to determine a local reactivity by indicating reactive centers and identifyinga potential nucleophilic and electrophilic attacks sites. The adsorption of compounds is also discussedwith the bonds length, the angles, and tetrahedral of molecules. The 2SB best from 4NBP as corrosion inhibitors according to theoretical and experimental proving.Predicated.

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Publication Date
Sat Dec 01 2018
Journal Name
Al-khwarizmi Engineering Journal
The Computational Fluid Dynamic Simulations for Gangrene Disease in Diabetic Foot
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The diabetic foot is considered one of the long term diabetes complications caused by a defect in blood vessel and nerve system. This requires dealing with diabetic foot with professional medical care, so as to prevent its development in advanced stages which could end to gangrene and amputation of the foot. This study has been initiated through follow-up of twelve patients with diabetes and the presence various occlusions in lower limb artery. One patient from them was chosen for investigation, this patient has stenosis in popliteal artery and presence multiple stenosis in superficial femoral artery. This study based on analysis present case of patient and prediction for progress stenosis in superficial femoral artery till arrive semi t

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Publication Date
Sun Jun 06 2010
Journal Name
Baghdad Science Journal
Charge density distributions for odd-A of 2s-1d shell nuclei
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An analytical expression for the charge density distributions is derived 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. The derived expression, which is applicable throughout the whole region of shell nuclei, has been employed in the calculations concerning the charge density distributions for odd- of shell nuclei, such as and nuclei. It is found that introducing an additional parameters, namely and which reflect the difference of the occupation numbers of the states from the prediction of the simple shell model leads to obtain a remarkabl

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Publication Date
Wed May 03 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Designing Feed Forward Neural Network for Solving Linear VolterraIntegro-Differential Equations
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The aim of this paper, is to design multilayer Feed Forward Neural Network(FFNN)to find the approximate solution of the second order linear Volterraintegro-differential equations with boundary conditions. The designer utilized to reduce the computation of solution, computationally attractive, and the applications are demonstrated through illustrative examples.

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Publication Date
Mon Oct 01 2018
Journal Name
Journal Of Economics And Administrative Sciences
The priority of government investment for companies manufacturing sector in Iraq
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The study aimed at clarifying the contradictions of the general industrial companies despite the investment allocations and the government investment expenditure on manufacturing activities under the so- called rehabilitation programs. However, this did not contribute to a certain extent in the growth and industrial leap in the direction of developing the activities of the sector Industrial sector in Iraq because of the lack of adoption of a number of basic principles towards the need to take priority of investment in the field of manufacturing and industrial decision-making in the restructuring of industry according to the priorities of investment in light of the international industrial trend, Tosmarah available to the manufact

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Publication Date
Wed Aug 01 2018
Journal Name
Journal Of Economics And Administrative Sciences
Robust Estimations for power Spectrum in ARMA(1,1) Model Simulation Study
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Simulation Study

 

Abstract :

Robust statistics Known as, Resistance to mistakes resulting of the deviation of Check hypotheses of statistical properties ( Adjacent Unbiased  , The Efficiency of data taken from a wide range of probability distributions follow a normal distribution or a mixture of other distributions with different standard deviations.

 power spectrum function lead to, President role in the analysis of Stationary random processes, organized according to time, may be discrete random variables or continuous. Measuring  its total capacity as frequency function.

Estimation methods Share with

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Publication Date
Thu Apr 13 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
The Morphological Characters Study For Satureja L. Species ( Labiatae)in Iraq
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    The morphological characters of   Satureja L.  species which is grown in Iraq were studied in detail ,starting from root,stem,leaves ,inflorescences ,flowers and fruits .The current study revelid that the characters of calyx and corolla have great important taxonomically ,besides the variations in the shape and size of leaves and bract ,figures were drawen  ,schedules and plates have been prepared.The indumentums study showed  that the trichomes have important taxonomically value of both glandular and eglandular hairs.

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Publication Date
Thu Jun 10 2010
Journal Name
Iraqi Journal Of Laser
Improvement of Nonlinear Optical Properties for Mixture Laser Dyes Doped PMMA
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The spectral characteristics and the nonlinear optical properties of the mixed donor (C-480) acceptor (Rh-6G) have been determined. The spectral characteristics are studied by recording their absorption and fluorescence spectra. The nonlinear optical properties were measured by z-scan technique, using Q-switched Nd: YAG laser with 1064 nm wavelength. The results showed that the optimum concentration of acceptor is responsible for increasing the absorption and the emission bandwidth of donor to full range and to 242 nm respectively by the energy transfer process, also the efficiency of the process was increased by increasing the donor and acceptor concentration. The obtained nonlinear properties results of the mixture C-480/ Rh-6G showed

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Publication Date
Fri Jun 24 2022
Journal Name
Iraqi Journal Of Science
Comparison of Various Gradient Types for Biological Image with Morphological Operations
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Biological image edge detection preserving the important structural properties in an image. Detecting accurate edges are very important for analyzing the basic properties associated with a biological image. Gradient operator plays very important role in edge detection. In this paper the images had been using are color biological images taken from microbiology laboratory at the biological department college of science Al-MustansiriyhUniversity and the effect of gradient operation have applied on around 10 different biological color images but view only two. In our proposed approach comparative of various gradient of biological image include (gradient of image, gradient of image using first order derivative edge detection (Soble,Prewitt,Ro

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Publication Date
Wed Jun 01 2022
Journal Name
Bulletin Of Electrical Engineering And Informatics
Proposed model for data protection in information systems of government institutions
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Information systems and data exchange between government institutions are growing rapidly around the world, and with it, the threats to information within government departments are growing. In recent years, research into the development and construction of secure information systems in government institutions seems to be very effective. Based on information system principles, this study proposes a model for providing and evaluating security for all of the departments of government institutions. The requirements of any information system begin with the organization's surroundings and objectives. Most prior techniques did not take into account the organizational component on which the information system runs, despite the relevance of

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Publication Date
Thu Nov 29 2018
Journal Name
Iraqi Journal Of Science
Application of WDR Technique with different Wavelet Codecs for Image Compression
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FG Mohammed, HM Al-Dabbas, Iraqi journal of science, 2018 - Cited by 6

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