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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
Sun Aug 01 2021
Journal Name
Telkomnika (telecommunication Computing Electronics And Control)
Online 3D path planning for Tri-copter drone using GWO-IBA algorithm
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Publication Date
Mon Aug 25 2025
Journal Name
Journal Of Physical Education
Special Endurance And its Relationship With 10 Km Walking Achievement for Youth
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Publication Date
Sun Sep 05 2010
Journal Name
Baghdad Science Journal
Design and Implementation for optical fiber communication system using frequency shift coding
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In this research, optical communication coding systems are designed and constructed by utilizing Frequency Shift Code (FSC) technique. Calculations of the system quality represented by signal to noise ratio (S/N), Bit Error Rate (BER),and Power budget are done. In FSC system, the data of Nonreturn- to–zero (NRZ ) with bit rate at 190 kb/s was entered into FSC encoder circuit in transmitter unit. This data modulates the laser source HFCT-5205 with wavelength at 1310 nm by Intensity Modulation (IM) method, then this data is transferred through Single Mode (SM) optical fiber. The recovery of the NRZ is achieved using decoder circuit in receiver unit. The calculations of BER and S/N for FSC system a

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Publication Date
Sat Dec 05 2015
Journal Name
PrzeglĄd Elektrotechniczny
Power Amplifier Frequency Controller Using feedback control techniques for Bio-implanted Devices
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Publication Date
Mon Apr 02 2018
Journal Name
Al-nahrain Journal For Engineering Sciences (njes)
Output Feedback Adaptive Sliding Mode Control Design for a Plate Heat Exchanger
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The heat exchanger is a device used to transfer heat energy between two fluids, hot and cold. In this work, an output feedback adaptive sliding mode controller is designed to control the temperature of the outlet cold water for plate heat exchanger. The measurement of the outlet cold temperature is the only information required. Hence, a sliding mode differentiator was designed to estimate the time derivative of outlet hot water temperature, which it is needed for constructing a sliding variable. The discontinuous gain value of the sliding mode controller is adapted according to a certain adaptation law. Two constraints which imposed on the volumetric flow rate of outlet cold (control input) were considered within the rules of the proposed

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Publication Date
Fri Feb 05 2010
Journal Name
Etri Journal
MC-MIPOG: A Parallel t-Way Test Generation Strategy for Multicore Systems
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Publication Date
Tue Dec 22 2020
Journal Name
Lecture Notes In Civil Engineering
Proposed Design Charts for Reinforced Concrete Spread Foundations Subjected to Concentric Load
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The design of reinforced concrete spread foundations mainly depends on soil bearing capacity, loading value, and column size. So for each design case, tiresome calculations and time consumption are needed. In this paper, generalized design charts are presented and plotted according to derivations based on the ACI 318 M-2019 Code. These charts could be used directly by the structural designers to estimate the column size, foundation thickness, and dimensions as well as the foundation reinforcement under a certain given concentric load assuming a uniformly distributed contact pressure underneath the foundation. Of noteworthy, these charts are oriented to deal with square isolated footings with a square concentric column, covering reasonable r

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Publication Date
Sat Jul 01 2023
Journal Name
International Journal Of Intelligent Engineering And Systems
An Efficient Cryptosystem for Image Using 1D and 2D Logistic Chaotic Maps
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Publication Date
Mon Dec 05 2022
Journal Name
Baghdad Science Journal
K-Nearest Neighbor Method with Principal Component Analysis for Functional Nonparametric Regression
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This paper proposed a new  method to study functional non-parametric regression data analysis with conditional expectation in the case that the covariates  are functional and the Principal Component Analysis was utilized to de-correlate the multivariate response variables. It  utilized the formula of the Nadaraya Watson estimator (K-Nearest Neighbour (KNN)) for prediction with different types of the semi-metrics, (which are based on Second Derivative and Functional Principal Component Analysis (FPCA))  for measureing the closeness between curves.  Root Mean Square Errors is used for the  implementation of this model which is then compared to the independent response method. R program is used for analysing data. Then, when  the cov

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Publication Date
Tue Feb 28 2023
Journal Name
Applied System Innovation
Earthquake Hazard Mitigation for Uncertain Building Systems Based on Adaptive Synergetic Control
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This study presents an adaptive control scheme based on synergetic control theory for suppressing the vibration of building structures due to earthquake. The control key for the proposed controller is based on a magneto-rheological (MR) damper, which supports the building. According to Lyapunov-based stability analysis, an adaptive synergetic control (ASC) strategy was established under variation of the stiffness and viscosity coefficients in the vibrated building. The control and adaptive laws of the ASC were developed to ensure the stability of the controlled structure. The proposed controller addresses the suppression problem of a single-degree-of-freedom (SDOF) building model, and an earthquake control scenario was conducted and simulat

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