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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
Tue Jul 18 2023
Journal Name
Journal Of Current Researches On Social Sciences
A Study on Sociocultural Features among Turkish and Iraqi Women
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SM ADAI, BN RASHID, Journal of Current Researches on Social Sciences, 2023

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Publication Date
Wed Jan 19 2022
Journal Name
International Journal Of Inventions In Engineering & Science Technology
Biodiversity in the Northern Region using GIS and Remote Sensing
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Biodiversity, biological diversity, biological diversity, biological diversity, biological diversity, biological diversity, biological diversity (by developmental factors) environmental factors and environmental factors environmental factors and environmental factors and environmental factors Correlation between biology and the succession of geological and historical factors of living organisms and geological and historical factors to the site and what It is surrounded by natural and tourist attractions and the pursuit of scientific methods in order to advance the studies of biological diversity in the region .

Publication Date
Fri Mar 04 2022
Journal Name
International Journal Of Research In Social Sciences & Humanities
Functional Load and Pronunciation Instruction in the Iraqi EFL Context
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MR Younus, 2022

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Publication Date
Fri Apr 07 2023
Journal Name
Multidisciplinary International Journal
INTEGRATION BETWEEN LANGUAGE AND LITERATURE OVER TEACHING OF FOREIGN LANGUAGES
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PDBN Rashid, Multidisciplinary International Journal, 2023

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Publication Date
Wed Apr 01 2020
Journal Name
Plant Archives
Sequential extraction of zinc and nickel elements in contaminated soils
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Publication Date
Tue Jan 01 2019
Journal Name
Plant Archives J.
Phenotypic, genotypic correlation and path coefficient in sunflower (Helianthus annuus)
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Publication Date
Tue Aug 02 2022
Journal Name
Journal Of Population Therapeutics & Clinical Pharmacology
A systematic review of Antimicrobial peptides and their current applications
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In present days, drug resistance is a major emerging problem in the healthcare sector. Novel antibiotics are in considerable need because present effective treatments have repeatedly failed. Antimicrobial peptides are the biologically active secondary metabolites produced by a variety of microorganisms like bacteria, fungi, and algae, which possess surface activity reduction activity along with this they are having antimicrobial, antifungal, and antioxidant antibiofilm activity. Antimicrobial peptides include a wide variety of bioactive compounds such as Bacteriocins, glycolipids, lipopeptides, polysaccharide-protein complexes, phospholipids, fatty acids, and neutral lipids. Bioactive peptides derived from various natural sources like bacte

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Publication Date
Thu Oct 01 2020
Journal Name
The Asian Efl Journal
The EFL Students' Academic Buoyancy in Reading and Listening Skills
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This research aims at identifying the Iraqi EFL students' academic buoyancy in reading and listening skills and then finding out the difference between the two skills; Furthermore, finding out the five predictors differences of each of the two scales. Two academic buoyancy scales used to collect data. After achieving the scales' psychometric characteristics, they are submitted to the study sample. The sample of (100) female students selected according to the stratified random method from the second class at the Department of English\ College of Education for Women\ University of Baghdad. The results show that the students have academic reading buoyancy and have not academic listening buoyancy; the difference between the two abilities shows

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Publication Date
Wed Feb 20 2019
Journal Name
Political Sciences Journal
Corruption (Definition , Characteristics , Reasons , Features , and ways of combating it)
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Corruption (Definition , Characteristics , Reasons , Features , and ways of combating it)

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Publication Date
Fri Jan 01 2021
Journal Name
Egyptian Journal Of Chemistry
Microstructure and Dielectric Properties of Polyaniline Doped with Copper Nanoparticles
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Polyaniline (PANI) has been prepared by the oxidation method in order to fabricate it with various concentrations of copper nanoparticles (CuNPs) which produced using the reduction method. Various techniques have characterized pure PANI and PANI doped CuNPs composites, such as fourier transform infrared spectroscopy (FT-IR), X-ray diffraction spectroscopy (XRD), field emission scanning electron microscopy (FE-SEM) and energy dispersive X-ray spectroscopy (EDS), which were provided important information about the structure and morphology of the fabricated polymer nanocomposites. The properties of dielectric permittivity (έ), dielectric loss (ἔ) and electrical conductivity (σ_AC) properties were studied at room temperature versus a range

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