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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 Feb 11 2025
Journal Name
Al–bahith Al–a'alami
Cultural and educational values for children
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Programs directed to children through the media in general and in television in particular are among the main factors that help in forming the cultural and educational values of this important segment of society, and in light of this the study problem was identified in answering a major question: What are the cultural and educational values that Ajyal channel seeks Space planted in children through my program, Iftah Ya Simsim (in its new season) and Friends of Ajyal? , While the objectives of the study were evident in identifying the most prominent cultural and educational values that the Ajyal satellite channel worked to instill in children, and identifying the nature of the techniques used by Ajyal channel in providing the value conten

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Publication Date
Fri Dec 31 2021
Journal Name
Iraqi Journal Of Market Research And Consumer Protection
ENHANCE THE QUALITATIVE SENSORY CHARACTERISTICS AND ANTIMICROBIAL ACTIVITY OF BOVINE MILK BY USING (Hibiscus sabdariffa): ENHANCE THE QUALITATIVE SENSORY CHARACTERISTICS AND ANTIMICROBIAL ACTIVITY OF BOVINE MILK BY USING (Hibiscus sabdariffa)
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Bovine milk is one of the richest nutrients that contain minerals and vitamins that enhance immunity, especially in children, but because many children do not want to drink the raw milk, therefore this study aimed to enhance the sensory characteristics of raw milk by using hibiscus plant extract, which is characterized by red color and distinctive flavor as well as studying the effect of aqueous extract of Hibiscus sabdariffa on inhibiting the growth of microorganisms, by using three concentrations of the aqueous extract (0.5, 1.0 and 1.5%), where the statistical results showed a significant difference (P≤0.05) between the concentrations in color, texture and general acceptance, and the best results appeared when using

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Publication Date
Thu Feb 04 2016
Journal Name
Iraqi Journal Of Market Research And Consumer Protection
Economic losses caused by mole cricket Gryllotalpa gryllotalpa on some vegetable plants and agricultural crops: Economic losses caused by mole cricket Gryllotalpa gryllotalpa on some vegetable plants and agricultural crops
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The study was conducted to estimate the economic losses caused by insect mole cricket Gryllotalpa gryllotalpa on some agricultural crops and Potato tubers in collage of Agriculture- Abu Ghraib season 2012-2013. Study showed Mole cricket caused percentage of infestation in spring potato tubers variety Luciana reached to 11.61% and the percentage of loss in weight of tubers reached 18.88%. The study showed that addition of animal manure (organic fertilizer) to the soil when planting potatoes in the autumn increased the incidence of infestation and the number of tunnels caused by mole cricket which led to from increased economic losses. When matured potato tubers were left for a longer period in the soil percentage of infestation by mole cr

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Publication Date
Wed Dec 01 2021
Journal Name
International Journal Bioautomation
Model for Prediction of the Weight and Height Measurements of Patients with Disabilities for Diagnosis and Therapy
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Background: Accurate measurement of a patient’s height and weight is an essential part of diagnosis and therapy, but there is some controversy as to how to calculate the height and weight of patients with disabilities. Objective: This study aims to use anthropometric measurements (arm span, length of leg, chest circumference, and waist circumference) to find a model (alternatives) that can allow the calculation of the height and the body weight of patients with disabilities. Additionally, a model for the prediction of weight and height measurements of patients with disabilities was established. Method: Four hander patients aged 20-80 years were enrolled in this study and divided into two groups, 210 (52.5%) male and 190 (47.5%) fe

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Publication Date
Tue Sep 27 2016
Journal Name
Mine Water Environ.
Dominant Mechanisms for Metal Removal from Acidic Aqueous Solutions by Cement Kiln Dust
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Publication Date
Sun Aug 06 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Approximation Solutions for System of Linear Fredhom Integral Equations by Using Decomposition Method
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In this paper, the Decomposition method was used to find approximation solutions for a system of linear Fredholm integral equations of the second kind. In this method the solution of a functional equations is considered as the sum of an infinite series usually converging to the solution, and Adomian decomposition method for solving linear and nonlinear integral equations. Finally, numerical examples are prepared to illustrate these considerations.

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Publication Date
Fri Mar 01 2019
Journal Name
Iran. J. Chem. Chem. Eng.
Biochar from orange (Citrus sinensis) peels by acid activation for methylene blue adsorption
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Publication Date
Sat Dec 30 2023
Journal Name
Journal Of Economics And Administrative Sciences
The Cluster Analysis by Using Nonparametric Cubic B-Spline Modeling for Longitudinal Data
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Longitudinal data is becoming increasingly common, especially in the medical and economic fields, and various methods have been analyzed and developed to analyze this type of data.

In this research, the focus was on compiling and analyzing this data, as cluster analysis plays an important role in identifying and grouping co-expressed subfiles over time and employing them on the nonparametric smoothing cubic B-spline model, which is characterized by providing continuous first and second derivatives, resulting in a smoother curve with fewer abrupt changes in slope. It is also more flexible and can pick up on more complex patterns and fluctuations in the data.

The longitudinal balanced data profile was compiled into subgroup

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Publication Date
Sat Nov 28 2020
Journal Name
Iraqi Journal Of Science
Experimental Investigation for Some Properties of PMMA Denture Base Strengthened by Different Nanoadditives
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In dental and medical applications, poly-methyl methacrylate (PMMA) has been widely accepted due to the excellent biocompatibility and easy fabrication. Yet, some of the physical and mechanical characteristics of this compound are considered inferior. Seven groups of PMMA nano-composite samples were reported to be fabricated at laboratory temperature . These samples could be used in manufacturing the complete or partial maxillary denture base. The aim of this research is to prepare nano-composite materials which consist of PMMA as a matrix material and two different types of powder (prepared nanoparticles of SnO2 and natural egg shell powder (ESP)) as strengthening materials. The selected additives were used in many cases as p

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Publication Date
Thu Apr 18 2019
Journal Name
Iraqi Journal Of Science
Simulation of Optical Energy Gap for Synthesis Carbon Quantum Dot by Laser Ablation
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Fluorescent Carbon Quantum Dots (CQDS) are a new kind of carbon nanoparticles that have appeared recently and have collected much interest as potential competitors to conventional semiconductor quantum dots (QDs). In addition to their comparable fluorescent properties, CQDs have the desired specifications of environmental friendliness, low toxicity, simple synthetic routes, low cost and surface passivation The functionalization of CQDS allow the control of their physicochemical properties. The main aim of this kind of researches is to account the variables that cannot be measured directly from practical experiments. Therefore, the work here is focused on the account energy gap of bulk (Eg bulk) by theoretically method (simulation) after

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