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Tubular Magnetic Shielding Scan (TMSS): A New Technique for Molecular Space Exploration. (i) The Case of Aromaticity of Benzene and [<i>n</i>]Paracyclophanes
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Both traditional and novel techniques were employed in this work for magnetic shielding evaluation to shed new light on the magnetic and aromaticity properties of benzene and 12 [n]paracyclophanes with n = 3–14. Density functional theory (DFT) with the B3LYP functional and all-electron Jorge-ATZP and x2c-TZVPPall-s basis sets was utilized for geometry optimization and magnetic shielding calculations, respectively. Additionally, the 6-311+G(d,p) basis set was incorporated for the purpose of comparing the magnetic shielding results. In addition to traditional evaluations such as NICS/NICSzz-Scan, and 2D-3D σiso(r)/σzz(r) maps, two new techniques were implemented: bendable grids (BGs) and cylindrical grids (CGs) of ghost atoms (Bqs). BGs allow for the recording of magnetic shielding from the bent ring levels of [n]pCPs, while CGs provide tubular magnetic shielding scan (TMSS) maps detailing the magnetic shielding from a cylindrical region above and below the ring frame. Our findings suggest that smaller [n]pCPs with n < 6 exhibit deviations in the magnetic shielding above and below the ring, indicating a broken electron delocalization under the ring. In contrast, larger [n]pCPs tend to behave similarly to benzene in terms of magnetic shielding. Moreover, we found that shorter polymethylene chains of [n]pCPs exhibit significantly higher magnetic shielding interactions with the ring. Both of the above techniques offer new and promising tools for characterizing nonplanar aromatic compounds, thereby contributing to a deeper understanding of their magnetic and electronic properties.

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Publication Date
Mon Oct 28 2019
Journal Name
Iraqi Journal Of Science
Exploration of A Cemetery Using Ground Penetration Radar
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     Ground penetrating radar (GPR) technology is used to determine the extent to which this technique can detect with a high-frequency range from 10 MHz to 1000 MHz into the ground by a transmitting antenna and A graveyard was found beneath the depth of the three meters under Surface of the earth in the shrine of the Prophet Houd and Saleh in Al-Najaf Governorate surveyed by through 4 tracks. Ground Penetrating Radar (GPR) is a device that transmits short pulses of electromagnetic energy with pulse duration about 1 ns to 20 ns. applying the filter Time- Zero to the same profile at a depth (3m) , Two types of antennas were used in this study, with two different frequencies antennas (250, 500 )MHz Three tracks (23,25,2

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Publication Date
Thu Dec 29 2016
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
N – Topological Space and Its Applications in Artificial Neural Networks
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   In this paper we give definitions, properties and examples of the notion of  type Ntopological space. Throughout this paper  N is a finite positive  number, N 2. The task of this paper is to study and investigate some properties of such spaces with the existence of a relation between this space and artificial Neural Networks (NN'S), that is we applied the definition of this space in computer field and specially in parallel processing

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Publication Date
Sun Apr 24 2022
Journal Name
Egyptian Journal Of Chemistry
A novel Tubular Electrochemical Reactor with a Spiral Design of Anode for Treatment of Petroleum Refinery Wastewater
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Publication Date
Mon May 20 2019
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
New Technique for Solving Autonomous Equations
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This paper demonstrates a new technique based on a combined form of the new transform method with homotopy perturbation method to find the suitable accurate solution of autonomous Equations with initial condition.  This technique is called the transform homotopy perturbation method (THPM). It can be used to solve the problems without resorting to the frequency domain.The implementation of the suggested method demonstrates the usefulness in finding exact solution for linear and nonlinear problems. The practical results show the efficiency and reliability of technique and easier implemented than HPM in finding exact solutions.Finally, all algorithms in this paper implemented in MATLAB version 7.12.

 

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Publication Date
Mon Sep 23 2019
Journal Name
Baghdad Science Journal
New Approach for Solving Three Dimensional Space Partial Differential Equation
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This paper presents a new transform method to solve partial differential equations, for finding suitable accurate solutions in a wider domain. It can be used to solve the problems without resorting to the frequency domain. The new transform is combined with the homotopy perturbation method in order to solve three dimensional second order partial differential equations with initial condition, and the convergence of the solution to the exact form is proved. The implementation of the suggested method demonstrates the usefulness in finding exact solutions. The practical implications show the effectiveness of approach and it is easily implemented in finding exact solutions.

       Finally, all algori

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Publication Date
Mon Dec 25 2017
Journal Name
Al-khwarizmi Engineering Journal
Utilizing a Magnetic Abrasive Finishing Technique (MAF) Via Adaptive Nero Fuzzy(ANFIS)
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 Abstract

An experimental study was conducted for measuring the quality of surface finishing roughness using magnetic abrasive finishing technique (MAF) on brass plate which is very difficult to be polish by a conventional machining process where the cost is high and much more susceptible to surface damage as compared to other materials. Four operation parameters were studied, the gap between the work piece and the electromagnetic inductor, the current that generate the flux, the rotational Spindale speed and amount of abrasive powder size considering constant linear feed movement between machine head and workpiece. Adaptive Neuro fuzzy inference system  (ANFIS) was implemented for evaluation of a serie

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Publication Date
Fri Jul 19 2019
Journal Name
Iraqi Journal Of Science
Mann Iteration Processes on Uniform Convex n-Banach Space
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Let Y be a"uniformly convex n-Banach space, M be a nonempty closed convex subset of Y, and S:M→M be adnonexpansive mapping. The purpose of this paper is to study some properties of uniform convex set that help us to develop iteration techniques for1approximationjof"fixed point of nonlinear mapping by using the Mann iteration processes in n-Banachlspace.

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Publication Date
Thu Feb 01 2024
Journal Name
Baghdad Science Journal
Comparative Study of Gamma- Ray Shielding Parameters for Different Epoxy Composites
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In the current work various types of epoxy composites were added to concrete to enhance its effectiveness as a gamma- ray shield. Four epoxy samples of (E/clay/B4C) S1, (E/Mag/B4C) S2, (EPIL) S3 and (Ep) S4 were used in a comparative study of gamma radiation attenuation properties of these shields that calculating using Mont Carlo code (MCNP-5). Adopting Win X-com software and Artificial Neural Network (ANN), µ/ρ revealed great compliance with MCNP-5. By applying (µ/ρ) output for gamma at different energies, HVL, TVL and MFP have been also estimated. ANN technique was simulated to estimate (µ/ρ) and dose rates. According to the results, µ/ρ of all epoxy samples scored higher than standard concrete. Both S2 and S3 samples having h

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Publication Date
Sun Jul 30 2023
Journal Name
Iraqi Journal Of Science
Preparation and Characterization of TiO2 Nanoparticles With and Without Magnetic Field Effect Via Hydrothermal Technique
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     With and without the use of magnetic fields, titanium dioxide (TiO2) nanoparticles were synthesized using the hydrothermal method at extremely high temperatures and pressures. Titanium tetra isopropoxide [Ti(C12H28O4)] was used for the preparation, which was performed at pH 7 and under temperatures of 160 and 190 ˚C. UV spectroscopy, XRD crystallography, FE-SEM microscopy were used for characterizations. From UV spectroscopy, the energy gap values were clearly affected by the increase in temperature and the presence of the magnetic field. At the temperatures of 160 and 190 oC for TiO2 without magnetic field, FE-SEM microscopy images have shown an average c

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Publication Date
Fri Jun 30 2023
Journal Name
Iraqi Journal Of Science
Topology Molecular Indices Relationship of Electronic Properties of N-Alkanes and Branched Alkanes
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    Eight electronic properties; HUMO, LUMO, HOMO-LUMO energy gap, dipole moment point-charge, dipole moment hybrid, molecular weight, heat of formation and zero-point energy of 60 normal and branched alkanes were examined using topology molecular indices. All the electronic properties were calculated using semi-empirical self-consistent molecular orbital theory. The relationship of electronic calculation properties with seven models of topology indices based on degree and/or distance were obtained in terms of their correlation, regression and principal component analysis. Most of the properties were well-modelled (r2 > 0.82) by topology molecular indices except the dipole moment point-charge and hybrid. The PCA resulted

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