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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 Aug 24 2021
Journal Name
Agronomy
Impact of Nitrogen Rate in Conventional and Organic Production Systems on Yield and Bread Baking Quality of Soft Red Winter Wheat
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Soft red winter wheat (SRW) is characterized by high yield and relatively low protein content. In Kentucky, there is growing demand from local artisan bread bakers for regionally produced flour, requiring production of grain with increased protein content and/or strength. The objective of this two-year field experiment was to evaluate the effect of nitrogen (N) management on five cultivars of winter wheat on yield and bread baking quality traits of modern and landrace SRW cultivars (Triticum aestivum L.). All five cultivars were evaluated using two N application rates in conventional and organic production systems. All traits measured were significantly affected by the agricultural production system and N rate, although plant height

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Publication Date
Mon Nov 01 2021
Journal Name
Iop Conference Series: Earth And Environmental Science
Effect of Spraying With Organic Sulfur and Hydrogen Peroxide on The Growth and Yield of Red Local Onions Allium Cepa L.
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Abstract<p>The study was conducted in the fields of the Department of Horticulture and Landscaping/College of Agriculture/University of Al-Qadisiyah/Al-Nouriah district - for the 2019-2020 agricultural season to study the effect of spraying with organic sulfur and hydrogen peroxide on the growth and yield of onions, Allium cepa L, where the study included two factors: the first factor was spraying organic sulfur at concentration (0, 2)., 4 ml. L-1) and symbol S1, S2, S3 and the second factor spraying with hydrogen peroxide at a concentration (0, 2, 4 ml. L-1) and symbolized by B1, B2, B3 and the interaction between them. A factorial experiment was conducted according to the randomized complete b</p> ... Show More
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Publication Date
Sun Mar 06 2011
Journal Name
Baghdad Science Journal
Isolation and Identification of Vibrio cholerae causes Epidemic cholera 2007 in Iraq by Rapid Method (Immunochromatographic one step rapid visual test) and comparing it with the traditional Bacterlogical Methods
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This study was for searching for Cholera Bacteria serotype which causes epidemiology Cholera in the 2007 in a fast method which contains (Rapid Visual Test) (Crystal V.C.) which was used for the first time in Iraq to diagnosis of Cholera Bacteria & compared with the traditional bacteriology method. The Cholera disease is one of the most dangerous epidemiological diseases which lead to death with a percentage of (50 – 70) % in the severe cases for untreated patients . For this purpose, 100 samples of stool from the patients from a (13) hospitals in Baghdad Governorate in the period from August to the end of December. The Cholera was diagnosis in two methods, 1st method was the fast method using the nitrocellulose which is coated with anti-

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Publication Date
Tue Aug 15 2023
Journal Name
Al-academy
Reading the visual discourse according to the design structures of the internal environments
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The current research dealt with contrastive structures and the culture of reception in the design of interior spaces as embodying a rhetorical aspect that reveals formal values related to the meanings of beauty through the mechanisms of symbolism and interpretation that drives mental behavior and is in harmony with intellectual data and its performance function.
Hence, the research in the first chapter dealt with the research problem, the need for it, and the extent of the necessity that calls for studying contrastive structures in interior design and architecture, and touching and searching for what is the paradox and its representations for the recipient, in which the interior designer plays an active role in presenting the best cre

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Publication Date
Thu May 18 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
A Theoretical Investigation of Enhanced Thermoelectric Figure of Merit of Low-Dimensional Structures
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 The power factors and electronic thermal conductivities in bismuth telluride (Bi2Te3), lead-telluride (PbTe), and gallium arsenide (GaAs) at room temperature (300K) quantum wires and quantum wells are theoretically investigated. Our formalism rigorously takes into account modification of these power factors and electronic thermal conductivities in free-surface wires and wells due to spatial confinement. From our numerical results, we predict a significant increase of the power factor in quantum wires with diameter w=20 Ã…. The increase is always stronger in quantum wires than in quantum wells of the corresponding dimensions. An unconfined phonon distribution assumed based on the bulk lattice thermal conductivity is then employed

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Publication Date
Sat Jun 01 2024
Journal Name
Journal Of Ecological Engineering
Using Machine Learning Algorithms to Predict the Sweetness of Bananas at Different Drying Times
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Publication Date
Sat Jan 13 2018
Journal Name
Journal Of Engineering
Regression Analysis Models to Predict the 28 -day Compressive Strength Using Accelerated Curing Tests
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Regression analysis models are adopted by using SPSS program to predict the 28-day compressive strength as dependent variable and the accelerated compressive strength as independent variable. Three accelerated curing method was adopted, warm water (35ºC) and autogenous according to ASTM C C684-99 and the British method (55ºC) according to BS1881: Part 112:1983. The experimental concrete mix design was according to ACI 211.1. Twenty eight concrete mixes with slump rang (25-50) mm and (75-100)mm for rounded and crushed coarse aggregate with cement content (585, 512, 455, 410, 372 and 341)Kg/m3.

      The experimental results showed that the acc

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Publication Date
Mon May 06 2024
Journal Name
Journal Of Ecological Engineering
Using Machine Learning Algorithms to Predict the Sweetness of Bananas at Different Drying Times
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The consumption of dried bananas has increased because they contain essential nutrients. In order to preserve bananas for a longer period, a drying process is carried out, which makes them a light snack that does not spoil quickly. On the other hand, machine learning algorithms can be used to predict the sweetness of dried bananas. The article aimed to study the effect of different drying times (6, 8, and 10 hours) using an air dryer on some physical and chemical characteristics of bananas, including CIE-L*a*b, water content, carbohydrates, and sweetness. Also predicting the sweetness of dried bananas based on the CIE-L*a*b ratios using machine learn- ing algorithms RF, SVM, LDA, KNN, and CART. The results showed that increasing the drying

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Publication Date
Tue Jan 01 2019
Journal Name
Diabetes &amp; Metabolic Syndrome: Clinical Research &amp; Reviews
Nephrotic range proteinuria; does it predict lung involvement in patients with type 2 diabetes
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Publication Date
Tue Jan 01 2019
Journal Name
Iraqi Journal Of Agricultural Sciences
Effect of welding heat input on corrosion rate of sprinkler irrigation piping joints by tig welding used in South of Iraq
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