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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
Thu Dec 15 2022
Journal Name
Al-academy
Evaluation of user interface designs in official websites "Fine Art Colleges Model"
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I found that it does not meet some of the requirements, including browsing and organizing structural elements, which is something in which the researcher found a scope for research, and from here she can formulate the problem of her research with the following question: Is there an actual need to develop user interface designs in the websites of Iraqi colleges of fine arts? The research included four chapters (the first chapter - the research problem - the second chapter (theoretical framework), which included three sections, the first is to identify the user interface, the second topic is the structural elements, and the third topic includes the rules of interface design and the dimensions of interaction), as well as the third chapter i

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Publication Date
Tue Jun 01 2021
Journal Name
Journal Of Engineering
Evaluation of Using Magnetized Water in Leaching Salts in Sandy Loam Soil
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Many studies and researchers have reported significant evidence that some physical properties of water can be changed as it passes through a magnetic field that can improve water use.  This can have a promising potential for applications, especially in the fields of irrigation and drainage. In this research, magnetized water was used to leach salt-affected sandy loam soil. A test rig was designed and constructed to investigate the effects of magnetized water on leaching soil. The rig consists of a magnetization device that can provide variable intensity. Water was supplied from a constant head reservoir to the magnetization device then to the soils that were placed in plastic columns. Five different magnetic intensi

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Publication Date
Fri Apr 01 2016
Journal Name
Journal Of Engineering
Numerical Study of Heat Transfer Enhancement in Heat Exchanger Using AL2O3 Nanofluids
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In this study, the flow and heat transfer characteristics of Al2O3-water nanofluids for a range of the Reynolds number of 3000, 4500, 6000 and 7500 with a range of volume concentration of 1%, 2%, 3% and 4% are studied numerically. The test rig consists of cold liquid loop, hot liquid loop and the test section which is counter flow double pipe heat exchanger with 1m length. The inner tube is made of smooth copper with diameter of 15mm. The outer tube is made of smooth copper with diameter of 50mm. The hot liquid flows through the outer tube and the cold liquid (or nanofluid) flow through the inner tube. The boundary condition of this study is thermally insulated the outer wall with uniform velocity a

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Publication Date
Mon Jan 01 2018
Journal Name
World Journal Of Dentistry
In vitro Remineralization of Caries-affected Dentin after Selective Carious Tissue Removal
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Publication Date
Tue Jan 09 2024
Journal Name
Fibers
Flexural Behavior of Pultruded GFRP–Concrete Composite Beams Strengthened with GFRP Stiffeners
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The utilization and incorporation of glass fiber-reinforced plastics (GFRP) in structural applications and architectural constructions are progressively gaining prominence. Therefore, this paper experimentally and numerically investigates the use of GFRP I-beams in conjunction with concrete slabs to form composite beams. The experimental design incorporated 2600 mm long GFRP I-beams which were connected compositely to concrete slabs with a 500 mm width and 80 mm thickness. The concrete slabs are categorized into two groups: concrete slabs cast using normal-strength concrete (NSC), and concrete slabs prepared using high-strength concrete (HSC). Various parameters like the type of concrete (normal and high-strength concrete), type of

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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
Mon Jan 01 2018
Journal Name
Aip Conference Proceedings
Theoretical study of electronic transfer current rate at dye-sensitized solar cells
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Publication Date
Tue Dec 20 2022
Journal Name
International Journal Of Emerging Technologies In Learning (ijet)
Effect of Augmented Reality Technology on Spatial Intelligence among High School Students
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Spatial Intelligence is a mental ability to understand and solve real-world problems. These visual-spatial representations are fundamental in learning various "STEM" topics, like digital drawing, art presentations, creating graphical representations, 2D designs. Opportunity to interact with real and/or virtual objects. It is a good opportunity in applying new techniques such as the augmenter, which is able to clarify mathematical tables, concepts and generalizations greatly to the visualization, understanding and mastery of concepts mathematically. The purpose of the research is to investigate impact of using AR technology in developing spatial intelligence for secondary school students, Baghdad. The quasi-experimental design was us

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Publication Date
Thu Mar 07 2024
Journal Name
Oncology Letters
Effect of valproic acid on histone deacetylase expression in oral cancer (Review)
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Publication Date
Tue Jun 01 2021
Journal Name
Baghdad Science Journal
Improved Image Security in Internet of Thing (IOT) Using Multiple Key AES
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Image is an important digital information that used in many internet of things (IoT) applications such as transport, healthcare, agriculture, military, vehicles and wildlife. etc. Also, any image has very important characteristic such as large size, strong correlation and huge redundancy, therefore, encrypting it by using single key Advanced Encryption Standard (AES) through IoT communication technologies makes it vulnerable to many threats, thus, the pixels that have the same values will be encrypted to another pixels that have same values when they use the same key. The contribution of this work is to increase the security of transferred image. This paper proposed multiple key AES algorithm (MECCAES) to improve the security of the tran

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