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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
Sat Jul 01 2017
Journal Name
Energy Procedia
Epoxy/Silicone Rubber Blends for Voltage Insulators and Capacitors Applications
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Publication Date
Fri Jan 01 2021
Journal Name
International Journal Of Agricultural And Statistical Sciences
ESTIMATED NON-PARAMETRIC AND SEMI-PARAMETRIC MODEL FOR LONGITUDINAL DATA
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Publication Date
Thu Feb 01 2024
Journal Name
Baghdad Science Journal
Investigate Spectroscopic Experimental and Theoretical Model for Hemoglobin Nanoscale Solution
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In the current study, haemoglobin analytes dissolved in a special buffer (KH2PO4(1M), K2HPO4(1M)) with pH of 7.4 were used to record absorption spectra measurements with a range of concentrations from (10-8 to 10-9) M and an absorption peak of 440nm using Broadband Cavity Enhanced Absorption Spectroscopy (BBCEAS) which is considered a simple, low cost, and robust setup. The principle work of this technique depends on the multiple reflections between the light source, which is represented by the Light Emitting Diode 3 W, and the detector, which is represented by the Avantes spectrophotomer. The optical cavity includes two high reflectivity  ≥99%  dielectric mirrors (dia

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Publication Date
Wed Feb 28 2024
Journal Name
Mosul Journal Of Nursing
Association between Digital Addiction and Eating Behaviors for Preschool Children
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Publication Date
Mon Dec 11 2017
Journal Name
Al-khwarizmi Engineering Journal
Design and Implementation for 3-DoF SCARA Robot based PLC
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Abstract 

This paper presents mechanical and electrical design, and implementation  process of industrial robot, 3-DoF type SCARA (selective compliment assembly robot arm),with two rotations and one translation used for welding applications.The design process also included the controller design which was based on PLC(programmable logic controller) as well as selection of mechanical and electrical components.The challenge was to use the available components in Iraq with reasonable costs. The robot mentioned is fully automated using programmable logic controller PLC(Zelio type SR3-B261BD),with 16inputs and 10 outputs. The PLC was implemented in FBD logic to obtain three different automatic motions with hi

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Publication Date
Fri Oct 20 2023
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Novel Approximate Solutions for Nonlinear Initial and Boundary Value Problems
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This paper investigates an effective computational method (ECM) based on the standard polynomials used to solve some nonlinear initial and boundary value problems appeared in engineering and applied sciences. Moreover, the effective computational methods in this paper were improved by suitable orthogonal base functions, especially the Chebyshev, Bernoulli, and Laguerre polynomials, to obtain novel approximate solutions for some nonlinear problems. These base functions enable the nonlinear problem to be effectively converted into a nonlinear algebraic system of equations, which are then solved using Mathematica®12. The improved effective computational methods (I-ECMs) have been implemented to solve three applications involving nonli

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Publication Date
Fri Jan 01 2021
Journal Name
Ieee Access
DNA Encoding and STR Extraction for Anomaly Intrusion Detection Systems
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Publication Date
Sat Jul 22 2023
Journal Name
Journal Of Engineering
Data Acquisition System for Wind Speed, Direction and Temperature Measurements
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This paper describes the use of microcomputer as a laboratory instrument system. The system is focused on three weather variables measurement, are temperature, wind speed, and wind direction. This instrument is a type of data acquisition system; in this paper we deal with the design and implementation of data acquisition system based on personal computer (Pentium) using Industry Standard Architecture (ISA)bus. The design of this system involves mainly a hardware implementation, and the software programs that are used for testing, measuring and control. The system can be used to display the required information that can be transferred and processed from the external field to the system. A visual basic language with Microsoft foundation cl

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Publication Date
Thu Mar 13 2025
Journal Name
Academia Open
Deep Learning and Fusion Techniques for High-Precision Image Matting:
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General Background: Deep image matting is a fundamental task in computer vision, enabling precise foreground extraction from complex backgrounds, with applications in augmented reality, computer graphics, and video processing. Specific Background: Despite advancements in deep learning-based methods, preserving fine details such as hair and transparency remains a challenge. Knowledge Gap: Existing approaches struggle with accuracy and efficiency, necessitating novel techniques to enhance matting precision. Aims: This study integrates deep learning with fusion techniques to improve alpha matte estimation, proposing a lightweight U-Net model incorporating color-space fusion and preprocessing. Results: Experiments using the AdobeComposition-1k

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Publication Date
Sat Sep 01 2018
Journal Name
Journal Of Engineering
Buckling Loads and Effective Length Factor for Non-Prismatic Columns
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