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Exploring the Potential of Quantum Chemical Calculations for Synthesized Quinazoline Derivatives as Superior Corrosion Inhibitors in Acidic Environment
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Hydrochloric acid (HCl) is a substance that is frequently utilized in industrial operations for important tasks such as chemical cleaning and pickling metallic surfaces.Therefore, the corrosion inhibition ability of three newly synthesized quinazoline derivatives namely, 3-allyl-2-(propylthio) quinazolin-4(3H)-one) (APQ), (3-allyl-2-(allylthio) quinazolin-4(3H)-one) (AAQ), (3-allyl- 2-( Prop -2-yn -1-ylthio) Quinazolin - 4 (3H) - one) (AYQ) were theoretically determined and these compounds were characterized using Fourier Transform Infra-Red (FTIR) and 1H and 13C Nuclear Magnetic Resonance (NMR) spectroscopic. A series of quantum chemical properties of these derivatives: EHOMO, ELUMO, energy gap (ΔE),dipole moment (μ), hardness (η), softness (Ϭ), absolute electronegativity (χ), fractions for electron transferred (ΔN), the ionization potential (I), (TE) and total energy were calculated. The obtained results of all quinazoline derivatives (APQ,AAQ,andAYQ) show almost the same corrosion inhibition with excellent efficiency. Density function theory (DFT) was used to investigate the relationship between the molecular structures and inhibitory efficacies of three quinazoline derivatives. The results of the analysis and measurement of Egap values revealed that the compound AYQ had a modest Egap of 4.999 eV and that strong values of Egap suggest that it will be easier to remove one electron from the HOMO orbital and deposit it in the LUMO orbital

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Publication Date
Wed Dec 20 2017
Journal Name
New Visions In Plant Science
Improving Nitrogen and Phosphorus Efficiency for Optimal Plant Growth and Yield
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Nitrogen (N) and phosphorus (P) are the most important nutrients for crop production. The N contributes to the structural component, generic, and metabolic compounds in a plant cell. N is mainly an essential part of chlorophyll, the compound in the plants that is responsible for photosynthesis process. The plant can get its available nitrogen from the soil by mineralizing organic materials, fixed-N by bacteria, and nitrogen can be released from plant as residue decay. Soil minerals do not release an enough amount of nitrogen to support plant; therefore, fertilizing is necessary for high production. Phosphorous contributes in the complex of the nucleic acid structure of plants. The nucleic acid is essential in protein synthesis regulation; t

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Publication Date
Mon Mar 08 2021
Journal Name
Baghdad Science Journal
Manufacturing not sensitive Okougl Omaid poly Funnell alcohol suitable for technical
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A sensitive film was manufactured Holokravaa using plastic materials the a Akougl substantive Amaid with poly alcohol Funnell addition to sensitive material Daakromat ammonium were obtained registry Qakma to diffraction efficiency of 83%

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Publication Date
Wed Jan 01 2020
Journal Name
Arab Journal Of Basic And Applied Sciences
Analytic and numerical solutions for linear and nonlinear multidimensional wave equations
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Publication Date
Tue Sep 08 2020
Journal Name
Baghdad Science Journal
A Proposed Analytical Method for Solving Fuzzy Linear Initial Value Problems
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     In this article, we aim to define a universal set consisting of the subscripts of the fuzzy differential equation (5) except the two elements  and , subsets of that universal set are defined according to certain conditions. Then, we use the constructed universal set with its subsets for suggesting an analytical method which facilitates solving fuzzy initial value problems of any order by using the strongly generalized H-differentiability. Also, valid sets with graphs for solutions of fuzzy initial value problems of higher orders are found.

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Publication Date
Thu Nov 01 2018
Journal Name
Italian Journal Of Vascular And Endovascular Surgery
Retroperitoneal versus transperitoneal approach for aortoiliac occlusive disease: a comparative study
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Publication Date
Fri Apr 28 2023
Journal Name
Mathematical Modelling Of Engineering Problems
Design Optimal Neural Network for Solving Unsteady State Confined Aquifer Problem
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Publication Date
Sat Dec 31 2016
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Osmotic Membrane Bioreactor for Oily Wastewater Treatment using External & Internal Configurations
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The present work aims to study the treatment of oily wastewater by means of forward osmosis membrane bioreactor process. Side stream (external) configuration and submerged (internal) configuration of osmotic membrane bioreactor were performed and investigated. The experimental work for each configuration was carried out continuously over 21 days. The flux behavior of forward osmosis membrane in an osmotic membrane bioreactor (OMBR) was investigated, using NaCl as the draw solution and CTA as FO membrane. The effect of mixed liquor suspended solids (MLSS) concentration and TDS accumulation of bioreactor on water flux and membrane fouling behaviors was detected. The accumulation and rejection of nutrients in the bioreactor (Nitrate, COD,

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Publication Date
Fri Feb 28 2025
Journal Name
Journal Européen Des Systèmes Automatisés
Decision-Making Model for Aircraft Landing Based on Fuzzy Logic Approach
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An aircraft's landing stage involves inherent hazards and problems associated with many factors, such as weather, runway conditions, pilot experiences, etc. The pilot is responsible for selecting the proper landing procedure based on information provided by the landing console operator (LCO). Given the likelihood of human decisions due to errors and biases, creating an intelligent system becomes important to predict accurate decisions. This paper proposes the fuzzy logic method, which intends to handle the uncertainty and ambiguity inherent in the landing phase, providing intelligent decision support to the pilot while reducing the workload of the LCO. The fuzzy system, built using the Mamdani approach in MATLAB software, considers critical

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Publication Date
Fri Jan 02 2015
Journal Name
International Journal Of Engineering Research And General Science
IT Auditing to Assure a Secure Cloud Computing for Enterprise Applications
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Recently, all over the world mechanism of cloud computing is widely acceptable and used by most of the enterprise businesses in order increase their productivity. However there are still some concerns about the security provided by the cloud environment are raises. Thus in this our research project, we are discussing over the cloud computing paradigm evolvement for the large business applications like CRM as well as introducing the new framework for the secure cloud computing using the method of IT auditing. In this case our approach is basically directed towards the establishment of the cloud computing framework for the CRM applications with the use of checklists by following the data flow of the CRM application and its lifecycle. Those ch

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Publication Date
Fri Jul 01 2011
Journal Name
3rd European Workshop On Visual Information Processing
Mean Predictive Block Matching (MPBM) for fast block-matching motion estimation
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