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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
Sun Feb 25 2024
Journal Name
Baghdad Science Journal
An Improved Cuckoo Search Algorithm for Maximizing the Coverage Range of Wireless Sensor Networks
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The issue of increasing the range covered by a wireless sensor network with restricted sensors is addressed utilizing improved CS employing the PSO algorithm and opposition-based learning (ICS-PSO-OBL). At first, the iteration is carried out by updating the old solution dimension by dimension to achieve independent updating across the dimensions in the high-dimensional optimization problem. The PSO operator is then incorporated to lessen the preference random walk stage's imbalance between exploration and exploitation ability. Exceptional individuals are selected from the population using OBL to boost the chance of finding the optimal solution based on the fitness value. The ICS-PSO-OBL is used to maximize coverage in WSN by converting r

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Publication Date
Sat Oct 31 2020
Journal Name
International Journal Of Psychosocial Rehabilitation
Attitudes of mothers towards over the counter antibiotics for their children in Baghdad city
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Publication Date
Sun Dec 07 2014
Journal Name
Baghdad Science Journal
Convergence of the Generalized Homotopy Perturbation Method for Solving Fractional Order Integro-Differential Equations
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In this paper,the homtopy perturbation method (HPM) was applied to obtain the approximate solutions of the fractional order integro-differential equations . The fractional order derivatives and fractional order integral are described in the Caputo and Riemann-Liouville sense respectively. We can easily obtain the solution from convergent the infinite series of HPM . A theorem for convergence and error estimates of the HPM for solving fractional order integro-differential equations was given. Moreover, numerical results show that our theoretical analysis are accurate and the HPM can be considered as a powerful method for solving fractional order integro-diffrential equations.

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Publication Date
Thu Apr 01 2021
Journal Name
Applied Soft Computing
Evolutionary multi-objective set cover problem for task allocation in the Internet of Things
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Publication Date
Wed Apr 01 2020
Journal Name
Al-rafidain Journal For Sport Sciences
The Effectiveness of UsingflippedclassroombyQuick Response Codes In Learning Someofskills In Artistic Gymnastics for men
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The study aimed to prepare quick response codes to learn some of the technical skills of the second graders in the Faculty of Physical Education and Sports Sciences. The experimental method was used in the design of the experimental and control experimental and control groups. The research sample was represented by second-graders in the College of Physical Education and Sports Sciences / University of Baghdad, and by lot, the second division (a) was chosen to represent the experimental group that applied the inverse method using the QR code, and the second division (g) to represent the control group and applied the traditional method. (10) Students per group. After the tribal tests, his main experiment was carried out for 10 weeks with one

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Publication Date
Sun Jan 24 2016
Journal Name
Al-academy
Employment aesthetic of digital technology for color in the film novelist: نجيـــــب أصليـــــوة حيــــــــــــــدو
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Find all boils down to is marked with (recruitment aesthetic of digital technology for (color) in the film novelist) And the relationship between the aesthetic employment of digital technology for (color) and its impacts on the level of artistic creativity through digital technology and its impacts on the technical and completed the final film in the film.Search and distributed at five chapters The first chapter discusses the methodological framework of the research, which included the research problem and is as follows:What is the digital technology to enrich color in the context in the film narrative to reflect the dramatic effect?And the importance of research and its objectives, including:1 - Employment aesthetic of digital technolog

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Publication Date
Sat Jul 09 2022
Journal Name
Optik
The role of Ag NPs in PVA electrospun NFs for ultra-high sensitivity photodetector
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This work aimed to produce PVA and PVA/Ag nanofibers ultra-high sensitivity photodetector by electrospinning. The electrospinning process was used to successfully prepare PVA nanofibers and a PVA-Ag nanofiber composite. FE-SEM, XRD, UV, I-V characterizations are used to study the morphological, structural, optical, and electrical properties of the material. In contrast, the PVA-Ag nanofiber composite film displayed a cubic structure with favored orientation (200) that indicated the presence of Ag NPs in the PVA-Ag nanofibers film. While the optical energy gap for PVA was 3.96 eV, it was only 2.14 eV for PVA-Ag nanofibers composite film, making this composite sensitive to visible light, particularly green light at 550 nm with a 65% photosens

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Publication Date
Wed May 31 2017
Journal Name
Journal Of Engineering
Evaluating the Performance of High Modulus Asphalt Concrete Mixture for Base Course in Iraq
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In the 1980s, the French Administration Roads LCPC developed high modulus mixtures (EME) by using hard binder. This type of mixture presented good resistance to moisture damage and improved . mechanical properties for asphalt mixtures including high modulus, good fatigue behaviour and excellent resistance to rutting. In Iraq, this type of mixture has not been used yet. The main objective of this research is to evaluate the performance of high modulus mixtures and comparing them with the conventional mixture, to achieve this objective, asphalt concrete mixes were prepared and then tested to evaluate their engineering properties which include moisture damage, resilient modulus, permanent deformation and fatigue characteristics. These prope

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Publication Date
Tue Jan 03 2023
Journal Name
College Of Islamic Sciences
characteristics Stylistic for commandments Abu Baker Al-Siddiq’s to the leaders of his Armie
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Abstract

This research studies Abu Baker Al-Siddiq’s commandments to the leaders of his armies. The research is organized into an Introduction, three sections, and a Conclusion.

The Introduction presents a definition of Style and Commandment terminologies. It also presents a brief biography of Abu Baker Al-Siddiq may Allah be pleased with him.

The first section explains the characteristics of the Composition and its rhetorical significance. In this Section, I study the types of predicate and the methods of construction in Abu Baker’s commandments and the rhetoric in using the connection and disconnection modifiers in his expressions.

The second section e

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Publication Date
Wed Dec 16 2020
Journal Name
Electronics
Downlink Training Design for FDD Massive MIMO Systems in the Presence of Colored Noise
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Massive multiple-input multiple-output (MaMi) systems have attracted much research attention during the last few years. This is because MaMi systems are able to achieve a remarkable improvement in data rate and thus meet the immensely ongoing traffic demands required by the future wireless networks. To date, the downlink training sequence (DTS) for the frequency division duplex (FDD) MaMi communications systems have been designed based on the idealistic assumption of white noise environments. However, it is essential and more practical to consider the colored noise environments when designing an efficient DTS for channel estimation. To this end, this paper proposes a new DTS design by exploring the joint use of spatial channel and n

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