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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
Sun Aug 30 2020
Journal Name
Periodicals Of Engineering And Natural Sciences (pen)
Kernel estimation of returns of retirement funds of employers based on monetary earnings (subscriptions and compensation) via regression discontinuity in Iraq
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Regression Discontinuity (RD) means a study that exposes a definite group to the effect of a treatment. The uniqueness of this design lies in classifying the study population into two groups based on a specific threshold limit or regression point, and this point is determined in advance according to the terms of the study and its requirements. Thus , thinking was focused on finding a solution to the issue of workers retirement and trying to propose a scenario to attract the idea of granting an end-of-service reward to fill the gap ( discontinuity point) if it had not been granted. The regression discontinuity method has been used to study and to estimate the effect of the end -service reward on the cutoff of insured workers as well as t

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Publication Date
Fri Jan 20 2023
Journal Name
Bionatura
Impact of inflammatory markers, dread diseases and cycle threshold (Ct) Values in COVID-19 progression. Revis Bionatura 2023; 8 (1) 33
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Publication Date
Sat Aug 30 2014
Journal Name
European Chemical Bulletin
SYNTHESIS AND SPECTRAL STUDIES OF METAL COMPLEXES WITH 3,4,6,7-O,O,O,O-TETRAKIS- (CARBOXY(CHLORO)METHYL)-L-ASCORBIC ACID (H4L)
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European Chemical Bulletin (ISSN 2063-5346) is a peer-reviewed journal that publishes original research papers, short communications, and review articles in all areas of chemistry. European Chemical Bulletin has eight sections, namely

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Publication Date
Mon Mar 08 2021
Journal Name
Baghdad Science Journal
Effect of alkaloid and phenolic extract administration oi Allium cepa L Ù  on some biochemical parameters of blood on albino mice
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؛ ١٨his study male and female albino mice werdministr^d doses of alkaloid and phenolic extracts of Allium cepa at doses of( 25 ,50,100, 200) mg / kg of( body weight). males and females were divided into four groups and each croup comprised mice were injected intra^ritonially daily for one week and orally ٢٠٢ one month . After which animals were killed and the serum was separated for biochemical analysis (total blood suger, total protein , otal cholesterol). Results showed significant decrease ( p< 0,05) in the total blood suger and total cholesterol on the serum of both males and females and significant increase( p< 0,05) in the total serum protein of both males and females of the two types of injection and oral administr

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Publication Date
Sun Jun 01 2025
Journal Name
Kufa Journal For Agricultural Sciences
Estimating the population density of Vegetable leaf miner Liriomyza sativae Blanchard (Diptera: Agromyzidae) on Tomato and Cucumber crops in the Greenhouses
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Publication Date
Tue Jun 30 2020
Journal Name
Dialogo
The Problems of Applying Psychological, Educational and Political Measurement Instruments in light of the Prevalence of the Corona virus (Covid-19)
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Publication Date
Sat Sep 30 2023
Journal Name
Journal Of Accounting And Financial Studies ( Jafs )
The use of green accounting information systems in the oil sector and its impact on reporting on sustainability - an applied study
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Abstract

                  The research seeks to shed light on green accounting information systems, analyze them, identify sustainability reporting and how to improve it, as well as study the importance of the Iraqi oil sector, analyze it, and work on applying green accounting information systems in order to improve the quality of sustainability reporting. Oil as a branch of the General Corporation for the Distribution of Oil and Gas Products to apply the practical aspect and prove the hypothesis of the research. Explaining the company's role in improving environmental conditions

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Publication Date
Wed Sep 15 2021
Journal Name
Journal Of Baghdad College Of Dentistry
The effect of contact time between alginate impression material and type III dental stone on the surface properties of stone casts
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Background: Alginate impression material is the irreversible hydrocolloid material that is widely used in dentistry. The contact time between alginate and gypsum cast could have a detrimental effect on the properties of the gypsum cast. The objective of this study is to evaluate the impact of various contact time intervals of Alginate impressions & type III dental stone on surface properties of stone cast. Materials and Methods: Time intervals tested were 1hour, 6 hours and 9 hours. Surface properties of stone cast evaluated were surface detail reproduction, hardness and roughness. Surface detail reproduction was determined using cylindrical brass test block in accordance with ISO 1563. Surface roughness was measured by profilometer

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Publication Date
Sat Aug 31 2024
Journal Name
Iraqi Geological Journal
Microfacies Analysis and Evolution of Porosity of the Albian-Early Cenomanian Mauddud Formation from Selected Wells in Ratawi Oilfield, Southern Iraq
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Mauddud Formation (Albian stage-the Early Cretaceous) is an important oil reservoir in Ratawi field of southern Iraq. Four wells, R T-2, R T-3, R T-6, and R T-7, located 70 km northwest of Basra, were selected to study microfacies properties and petrophysical associations with the probability of oil production. Seventy-seven core samples are collected, and thin sections for petrographic analysis. The self-potential, Gamma-ray, resistivity, and porosity logs are used to determine the top and bottom of the Mauddud Formation. Water saturation of the invaded and uninvaded zones, shale volume, and porosity were calculated. The study area results showed that the quantity of shale is less than 15% for most of the wells, and the dominant po

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Publication Date
Sun Mar 01 2020
Journal Name
International Journal Of Pharmaceutical Research
Phytochemical investigation,anti-proliferative and antioxidant- activities of Iraqi Capparisspinosa L. (Family Capparidaceae) against MCF-7 human Breast cancer cell line
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