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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
Wed Apr 01 2015
Journal Name
Journal Of Economics And Administrative Sciences
Classification & Evaluation of Evidence of deprivation in Iraq (2009) by using Cluster analysis
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       The study aimed to reach the best rating for the views and variables in the totals characterized by qualities and characteristics common within each group and distinguish them from aggregates other for the purpose of distinguishing between Iraqi provinces which suffer from deprivation, for the purpose of identifying the status of those provinces in the early allowing interested parties and regulators to intervene to take appropriate corrective action in a timely manner. Style has been used cluster analysis Cluster analysis to reach the best rating to those totals from the provinces that suffer from problems, where the provinces were classified, based on the variables (Edu

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Publication Date
Sat Mar 13 2021
Journal Name
Al-nahrain Journal Of Science
Hiding Multi Short Audio Signals in Color Image by using Fast Fourier Transform
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Many purposes require communicating audio files between the users using different applications of social media. The security level of these applications is limited; at the same time many audio files are secured and must be accessed by authorized persons only, while, most present works attempt to hide single audio file in certain cover media. In this paper, a new approach of hiding three audio signals with unequal sizes in single color digital image has been proposed using the frequencies transform of this image. In the proposed approach, the Fast Fourier Transform was adopted where each audio signal is embedded in specific region with high frequencies in the frequency spectrum of the cover image to sa

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Publication Date
Wed Jan 01 2020
Journal Name
Review Of Computer Engineering Research
Investigating Factors Affecting the Adoption of Smartphone Technology by Elderly People In Iraq
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Publication Date
Mon Mar 08 2021
Journal Name
Baghdad Science Journal
Detemination of zine level in blood serum by neutron activation anal ysis(N.A.A)
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zine level in serum was mesured from patients suffering ftom cancer and healthy indiciduals hindred from each individuals were classified into three according to thier age the groups were

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Publication Date
Mon Nov 06 2017
Journal Name
International Conference On Technologies And Materials For Renewable Energy, Environment And Sustainability, Tmrees17, 21-24 April 2017, Beirut Lebanon
HgBa2 Can-1CunO2n+2+δ Superconducting thin films Prepared by Pulsed Laser Deposition
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In the present work, HgBa2Can-1CunO2n+2+δ superconducting thin films with (100) nm thickness were (n=1, 2 and 3) prepared by Pulsed Laser Deposition technique on glass substrate at R.T (300) K, have been synthesize. The effect of Cu content on the structural, surface morphology, optical and electrical properties of HgBa2Can-1CunO2n+2+δ films were investigated and analyzed. The results of XRD analysis show that all samples are polycrystalline structure with orthorhombic phase, the change of Cu concentration in samples produce changes in the mass density, lattice parameter and the ratio (c/a). AFM techniques were used to examine the surface morphology of HgBa2Can-1CunO2n+2+δ superconducting films, the study showed the values of surface rou

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Publication Date
Tue Oct 25 2022
Journal Name
Aip Conference Proceedings
A new class of K-uniformly starlike functions imposed by generalized Salagean’s operator
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Recently, numerous the generalizations of Hurwitz-Lerch zeta functions are investigated and introduced. In this paper, by using the extended generalized Hurwitz-Lerch zeta function, a new Salagean’s differential operator is studied. Based on this new operator, a new geometric class and yielded coefficient bounds, growth and distortion result, radii of convexity, star-likeness, close-to-convexity, as well as extreme points are discussed.

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Publication Date
Thu Jan 01 2015
Journal Name
International Journal Of Advanced Research
UV Photovoltaic detector based on Bi doped TiO2 Fabricated by Pulse Laser Deposition
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Pure and doped TiO 2 with Bi films are obtained by pulse laser deposition technique at RT under vacume 10-3 mbar, and the influence of Bi content on the photocvoltaic properties of TiO 2 hetrojunctions is studied. All the films display photovoltaic in the near visible region. A broad double peaks are observed around λ= 300nm for pure TiO 2 at RT in the spectral response of the photocurrent, which corresponds approximately to the absorption edge and this peak shift to higher wavelength (600 nm) when Bi content increase by 7% then decrease by 9%. The result is confirmed with the decreasing of the energy gap in optical properties. Also, the increasing is due to an increase in the amount of Bi content, and shifted to 400nm when annealed at 523

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Publication Date
Sun Mar 08 2015
Journal Name
All Days
Distribution of New Horizontal Wells by the Use of Artificial Neural Network Algorithm
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Abstract<p>It is an established fact that substantial amounts of oil usually remain in a reservoir after primary and secondary processes. Therefore; there is an ongoing effort to sweep that remaining oil. Field optimization includes many techniques. Horizontal wells are one of the most motivating factors for field optimization. The selection of new horizontal wells must be accompanied with the right selection of the well locations. However, modeling horizontal well locations by a trial and error method is a time consuming method. Therefore; a method of Artificial Neural Network (ANN) has been employed which helps to predict the optimum performance via proposed new wells locations by incorporatin</p> ... Show More
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Publication Date
Wed Aug 16 2023
Journal Name
مجلة الاستاذ للعلوم الانسانية والاجتماعية- كلية التربية ابن رشد – جامعة بغداد،
Using the Theory of Conceptual Metaphor in Two Sonnets by Victorian Female Poets
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This study has applied the theoretical framework of conceptual metaphor theory to the analysis of the source and target domains of metaphors that are used in two English nineteenth century sonnets, both written by contemporaneous female poets. The quantitative and qualitative results of the textual analysis have clearly revealed that Elizabeth Barrett Browning’s sonnet 23 centres around the conceptual mapping of the journey of love and life with that of possession. In contrast, Christina Rossetti’s sonnet Remember tackles the central conceptual mapping of death as a journey in relation to its further experiential connections. In addition, the application of conceptual metaphor theory in identifying the frequencies and densities of metap

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Publication Date
Thu Jan 01 2026
Journal Name
South African Journal Of Chemical Engineering
Photoelectrocatalytic degradation of tetracycline by a novel Gr /Ni-Sb-SnO2 photo-anode
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