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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
Mon Apr 01 2024
Journal Name
Journal Of Krishna Institute Of Medical Sciences University
Study of CD31 IHC expression in dysplastic and malignant lesions of the cervix and its correlation to IHC expression of HPV (16E6 + 18E6)
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Publication Date
Mon Oct 28 2024
Journal Name
Anggaran : Jurnal Publikasi Ekonomi Dan Akuntansi
The Role Of Emotional Intelligence in The Board Of Directors and Its Impact On The Performance and Value Of Institutions and Conservative Practices In Light Of Crises (Applied Research On a Sample Of Banks Listed On ISX)
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This research aims to underscore the significance of women's emotional intelligence in enhancing the effectiveness of the Board of Directors, a crucial component of internal governance, particularly during crises. Despite strides made in recent decades in appointing women to senior roles in government, business, and education, challenges persist in improving women's leadership opportunities, especially in developing countries. The study utilizes statistical methods, including Pearson's correlation, to analyze the relationships between variables within a sample of banks listed on the Iraqi securities market, comparing periods before and during the COVID-19 pandemic (2019 and 2020). The goal is to measure the impact of female emotiona

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Publication Date
Fri Jan 10 2025
Journal Name
Journal Of Physical Education
Exercises With Different Ranges Of Motion With Significance Of Electrical Activity for Muscle in Strength With Speed Of Lower Limbs For Weight Lifters Of Physical Strength
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Publication Date
Sat Jan 01 2022
Journal Name
Journal Of Algebraic Statistics
The effect of compound exercises for the arm least used in developing the accuracy of the passing skill of the handball for ages (15-17) years
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Publication Date
Sun Oct 04 2015
Journal Name
Iraqi Journal Of Market Research And Consumer Protection
Study the optimum conditions for production of inulunase from isolate Kluyveromyces marxianus AY2.: Study the optimum conditions for production of inulunase from isolate Kluyveromyces marxianus AY2.
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Results showed that the optimum conditions for production of inulunase from isolate Kluyveromyces marxianus AY2 by submerged culture could be achieved by using inulin as carbon source at a concentration of 2% with mixture of yeast extract and ammonium sulphate in a ratio of 1:1 in a concentration of 1% at initial pH 5.5 after incubation for 42 hours at 30ºC.

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Publication Date
Wed May 30 2018
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Indirect Way for the Assay of Captopril Drug in Dosage FormsUsing1,10-Phenanthroline as a Selective Spectrophotometric Agent for Fe(II) Via Homemade CFIA /Merging Zones Technique
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        A new speed and sensitive batch and merging zones-flow injection analysis spectrophotometric ways for estimation of captopril in a fine material and in pharmaceutical formulations were suggested. The procedure was depended on the  decline of Fe(III) as FeCl3 to Fe(II) by captopril in acetic acid as medium, the produced Fe(II) interplays with 1,10-phenanthroline to compose a soluble orange-red colored product that is determined at maximum wave length of 511nm. The manifold FIA system was able to determine of CPL. with a throughput 51 sample/h. Calibration curves of absorbance against concentration sign of that Beer, s law is submitted to within the concentration scale o

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Publication Date
Mon Feb 01 2016
Journal Name
Al-academy
Impact organization of configuration for still life in paintings of first grade students for department of Art Education in subject of colors: احمد مطشر لطيف السبتي
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Problem of research as defined, including the following:what is impact organizing of configuration for still life in paintings of students in the Department of Art Education in subject of colors ?Study of well training for organized in painting of still life is necessary for a teacher of art education to contribute effectively to the performance of his letter, so is this research in response to the public goals for a subject of art education. The current research aims to:1. Impact organization of configuration for still life in paintings of students in the Department of Art Education for the first grade in subject of colors2. Role organization of configuration for still life in the painting to serve the educational process in subject of

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Publication Date
Sun Nov 25 2018
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Study the Shapes of Nuclei for Heavy Elements with Mass Number Equal to (226≤A≤252) through Determination of Deformation Parameters for Two Elements (U&Cf)
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   The current paper focuses on the studying the forms of (even-even) nuclei for the heavy elements with mass numbers in the range from (A=226 - 252) for  isotopes. This work will consist of studying deformation parameters  which is deduced from the "Reduced Electric Transition Probability" which is in its turn dependent on the first Excited State . The "Intrinsic Electric Quadrupole Moments" (non-spherical charge distribution)  were also calculated. In addition to that the Roots Mean Square Radii (Isotope Shift) are accounted for in order to compare them with the theoretical results.

The difference and variation in shapes of nuclei for the selected isotopes were detected using &

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Publication Date
Thu Jan 04 2024
Journal Name
Journal Of Accounting And Financial Studies ( Jafs )
Estimating the impact of tax exemptions on achieving economic development in Iraq for the period (2015-2021): An Applied research in the General Authority for Taxes
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Abstract

          The research aims to identify tax exemptions, their objectives and types, as well as to shed light on the concept of sustainable development, its objectives, dimensions and indicators (economic, social and environmental), as well as to analyze the relationship between tax exemptions and economic development, in addition to measuring and analyzing the impact of tax exemptions on economic development in Iraq for the period ( 2015 - 2021) using the NARDL model. The research problem centers on the fact that failure to employ financial policy tools correctly led to a weakness in achieving economic justice, which leads to a failure to improve social welfar

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Publication Date
Thu Apr 30 2015
Journal Name
Iraqi Journal Of Market Research And Consumer Protection
Detection of Commercial Cheating for Some Kinds of Local Markets retailed Medicinal Oils: Detection of Commercial Cheating for Some Kinds of Local Markets retailed Medicinal Oils
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The aims of this study are to explore the commercial artifacts in the following three kinds of vegetables oils, Nigella Sativa, Trigonella foenum-graecum Linn,and Zingiber officinale. These oils have been very popular medicinal plants which are commonly used in traditional medicine .These commercial oils have been compared with the extracts of these plants.
The physical properties of extracts and commercial oils of these plants have been stuied. We observed that the refractive index of the plants matches and non-significant, while specific gravity of Nigella Sativa has similar specific gravity in both extracts and commercial oil in contrast with Trigonella foenum Linn,and Zingiber officinale and we found significant difference (P&lt

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