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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 Jul 20 2020
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis, Characterization and Biological Activities of new Nano Schiff bases Composites
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     New nano composites containing Schiff bases have been synthesized and presented in this paper. All compounds have been categorized through FT-IR and some of them by H-NMR spectroscopy. The antibacterial performance of the prepared compounds has been investigated according to the agar diffusion method. The compounds (P1,P2,C1, and C2) have shown, in general,  significant inhibition against bacterial.

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Publication Date
Thu Aug 03 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Acute Effective of Chromiume on the Simocephalus expinosus and Mesocyclops hyalinus
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          The effect of acute toxicity of chromium as (k2Cro4) on Simocephalus  expinosus (cladocera) and Mesocyclops hyalinus (cyclopoida) was studied in the present study .Both species can be used as asutible biological indecaters. In addition  Both of them are part of crustacean zooplankton.Their position in the fresh water  food chain, as the cladocerans constitutes the primary consumers while cyclopoids are part of secondary consumers.         To determine LC50 of chromium for the two species the following concentrations  of chromium  were  used 1,2, 3,4, 5,6, 14,18, 22,26,28, and 30 ppm. The results showed that LC 50 o

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Publication Date
Wed Dec 11 2019
Journal Name
Journal Of The College Of Education For Women
Terrorism and Internal Displacement in Iraq: A Field Study in Baghdad
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    Terrorism is a serious problem for many societies today. This research aims to identify the impact of terrorism and displacement crisis on human security, which was a shock to the Iraqi society in terms of its impact on the psychological, social and economic conditions of the individual, family, and society. The variety of methods of carrying out the terrorist operations that resulted from the phenomenon of human displacement witnessed by Iraq since the middle of 2014. This phenomenon has its demographic, political and social dimensions.

    In order to achieve the goal of this study and the importance of the subject, the social survey method was used by selecting a sample of 200 IDPs in a compou

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Publication Date
Fri May 01 2015
Journal Name
2015 Ieee Congress On Evolutionary Computation (cec)
Differential evolution with adaptive repository of strategies and parameter control schemes
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A new Differential Evolution (ARDE) algorithm is introduced that automatically adapt a repository of DE strategies and parameters adaptation schemes of the mutation factor and the crossover rate to avoid the problems of stagnation and make DE responds to a wide range of function characteristics at different stages of the evolution. ARDE algorithm makes use of JADE strategy and the MDE_pBX parameters adaptive schemes as frameworks. Then a new adaptive procedure called adaptive repository (AR) has been developed to select the appropriate combinations of the JADE strategies and the parameter control schemes of the MDE_pBX to generate the next population based on their fitness values. Experimental results have been presented to confirm the reli

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Publication Date
Tue Jan 01 2013
Journal Name
Communications And Network
Link and Cost Optimization of FTTH Network Implementation through GPON Technology
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Publication Date
Wed Mar 16 2022
Journal Name
Journal Of Educational And Psychological Researches
Administrative Empowerment and Its Relationship to Remote Supervision at Public Schools
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The study aims to identify the extent of the availability of administrative empowerment and the implementation of remote supervision in relation to two variables with respect to the employees of the Saudi Ministry of Education. The study included (456) male and female supervisors. The questionnaire has been administrated to collected data related to the research aims. The results indicated that both the extent of the availability of administrative empowerment and the implementation of remote supervision is of an average degree. There is a significant correlation relationship (p<0.05) between administrative empowerment and remote supervision of the educational supervisors of the Saudi Ministry of Education. The research recommends that

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Publication Date
Fri Sep 01 2023
Journal Name
Journal Of Engineering
Mechanical and Physiochemical Properties of Central Marshes Bed Soils – Southern Iraq
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The central marshes are one of the most important wetlands/ecosystems in the southern area of Iraq. This study evaluates the bed soil's mechanical, physical, and chemical properties at certain southern Iraqi central marshes sites. This was conducted to investigate their types and suitability for enhancing the agricultural reality of most field crops and for construction purposes. Soil samples were collected from 15 sites at 10-100 cm depth. Hence, numerous parameters were determined: index properties, unconfined compressive strength, direct shear strength, consolidation, texture, and sieve analysis, water content, specific gravity, dry density, permeability, pH, total soluble salts (TSS), organic materials (OM) and total

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Publication Date
Sat Jun 15 2024
Journal Name
Al-academy
Aesthetic Composition Systems of Writings and Texts in Contemporary Arab Sculpture
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ملخص البحث: تناول البحث الحالي:(أنظمة التكوين الجمالي للكتابات والنصوص في النحت العربي المعاصر)، عددا من الأفكار الأساسية التي تمثل المادة النظرية لتفسير ظاهرة الكتابة في الفن بشكل عام وفي فن النحت بشكل خاص، ولكشف أنظمة التكوين الجمالي وأنواعها المتعددة من خلال فحص بعض النصوص البصرية للفنانين العرب المعاصرين، فقد جاء هذا البحث في أربعة فصول. خصص الفصل الأول: الإطار المنهجي للبحث لبيان مشكلة البحث، وأهم

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Publication Date
Thu Feb 07 2013
Journal Name
Iraqi Journal Of Medical Science
A study of serum magnesium and calcium levels in missed abortion
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Publication Date
Wed Apr 03 2013
Journal Name
The Official Journal Of Iraqi Board For Medical Specialization
Presentation and management outcomes of eclampsia at Al-Elwiyah teaching hospital
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