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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
Wed Jun 01 2016
Journal Name
Journal Of The College Of Basic Education
Spectrophotometric determination of ciprofloxacin by Ion pair complex formation with bromothymol blue‏
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Publication Date
Sun Dec 02 2012
Journal Name
Baghdad Science Journal
Numerical Approach of Linear Volterra Integro-Differential Equations Using Generalized Spline Functions
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This paper is dealing with non-polynomial spline functions "generalized spline" to find the approximate solution of linear Volterra integro-differential equations of the second kind and extension of this work to solve system of linear Volterra integro-differential equations. The performance of generalized spline functions are illustrated in test examples

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Publication Date
Thu Jun 01 2023
Journal Name
Advances In Mechanical Engineering
3D-shape formation of blood vessels based on computer aided design system
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This paper proposes and tests a computerized approach for constructing a 3D model of blood vessels from angiogram images. The approach is divided into two steps, image features extraction and solid model formation. In the first step, image morphological operations and post-processing techniques are used for extracting geometrical entities from the angiogram image. These entities are the middle curve and outer edges of the blood vessel, which are then passed to a computer-aided graphical system for the second phase of processing. The system has embedded programming capabilities and pre-programmed libraries for automating a sequence of events that are exploited to create a solid model of the blood vessel. The gradient of the middle c

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Publication Date
Sat Apr 15 2023
Journal Name
Iraqi Journal Of Science
Use of radium in studying water resources in Shanafiya-Samawa areasouth Iraq
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The water resources, Groundwater and surface water, in Shanafiya – Samawa
area- southern Iraq were investigated using radium-226. The study examines the use
of radium as tracer whether saline surface water (Sawa Lake) seeps and interacts
with water of the Euphrates River and where groundwater interacts with surface
water, Euphrates, Atshan River and Sawa Lake. As well as examine the radiological
doses caused by consumption of these waters. Thirteen water samples were analysis
for radium-226 content by precipitation with barium carrier by using gamma
spectroscopy based on hyper-pure Germanium with efficiency 30%. The result
shows that Sawa Lake contains radium concentration higher than that of
groundwater and

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Publication Date
Thu Oct 20 2022
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Theoretical Calculation of Photon Emission from Quark-Antiquark Annihilation Using QCD Theory
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In this work, we calculate and analyze the photon emission from quark and anti-quark interaction during annihilation process using simple model depending on phenomenology of quantum chromodynamic theory (QCD). The parameters, which include the running strength coupling, temperature of the system and the critical temperature, carry information regarding photon emission and have a significant impact on the photons yield. The emission of photon from strange interaction with anti-strange is large sensitive to decreases or increases there running strength coupling. The photons emission increases with decreases running strength coupling and vice versa. We introduce the influence of critical temperature on the  photon emission  rate in order

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Publication Date
Fri Sep 30 2011
Journal Name
Journal Of Electrochemical Science And Technology
Electrodeposition of Silicon from Fluorosilicic Acid Produced in Iraqi Phosphate Fertilizer Plant
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Publication Date
Mon Feb 28 2022
Journal Name
International Journal Of Interactive Mobile Technologies (ijim)
Flying Ad hoc Networks (FANET): Performance Evaluation of Topology Based Routing Protocols
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Flying Ad hoc Networks (FANETs) has developed as an innovative technology for access places without permanent infrastructure. This emerging form of networking is construct of flying nodes known as unmanned aerial vehicles (UAVs) that fly at a fast rate of speed, causing frequent changes in the network topology and connection failures. As a result, there is no dedicated FANET routing protocol that enables effective communication between these devices. The purpose of this paper is to evaluate the performance of the category of topology-based routing protocols in the FANET. In a surveillance system involving video traffic, four routing protocols with varying routing mechanisms were examined. Additionally, simulation experiments conduct

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Publication Date
Thu Feb 28 2019
Journal Name
Journal Of Engineering
Improvement of Earth Canals Constructed on Gypseous Soil by Soil Cement Mixture
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The gypseous soil may be one of the problems that face the engineers especially when it used as a foundation for hydraulic structures, roads, and other structures. Gypseous soil is strong soil and has good properties when it is dry, but the problem arises when building hydraulic installations or heavy buildings on this soil after wetting the water to the soil by raising the water table level from any source or from rainfall which leads to dissolve the gypsum content.

Cement-stabilized soil has been successfully used as a facing or lining for earth channel, highway embankments and drainage ditches to reduce the risk of erosion and collapsibility of soil. This study is deliberate the treatment of gypseous soil by u

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Publication Date
Thu Dec 27 2018
Journal Name
International Journal Of Hydrogen Energy
Compressional wave velocity of hydrate-bearing bentheimer sediments with varying pore fillings
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A potential alternative energy resource to meet energy demands is the vast amount of gas stored in hydrate reserves. However, major challenges in terms of exploration and production surround profitable and effective exploitation of these reserves. The measurement of acoustic velocity is a useful method for exploration of gas hydrate reserves and can be an efficient method to characterize the hydrate-bearing sediments. In this study, the compressional wave velocity (P-wave velocity) of consolidated sediments (Bentheimer) with and without tetrahydrofuran hydrate-bearing pore fillings were measured using the pulse transmission method. The study has found that the P-wave velocity of consolidated sediments increase with increasing hydrate format

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Publication Date
Mon Jan 01 2024
Journal Name
Baghdad Science Journal
Semi-Analytical Assessment of Magneto-Hydrodynamic Nano-Fluid Flow Jeffrey- Hamel Problem
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In this paper, analyzing the non-dimensional Magnesium-hydrodynamics problem Using nanoparticles in Jeffrey-Hamel flow (JHF) has been studied. The fundamental equations for this issue are reduced to a three-order ordinary differential equation. The current project investigated the effect of the angles between the plates, Reynolds number, nanoparticles volume fraction parameter, and magnetic number on the velocity distribution by using analytical technique known as a perturbation iteration scheme (PIS). The effect of these parameters is similar in the converging and diverging channels except magnetic number that it is different in the divergent channel. Furthermore, the resulting solutions with good convergence and high accuracy for the d

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