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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
Fri Sep 01 2023
Journal Name
Iraqi Journal Of Physics
Influence of NiTi Spring Dimensions and Temperature on the Actuator Properties
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Nitinol (NiTi) is used in many medical applications, including hard tissue replacements, because of its suitable characteristics, including a close elastic modulus to that of bones. Due to the great importance of the mechanical properties of this material in tissue replacements, this work aims to study the hysteresis response in an attempt to explore the ability of the material to remember its previous mechanical state in addition to its ability to withstand stress and to obtain the optimal dimensions and specifications for the manufacturer of NiTi actuators. Stress-strain examination is done in a computational way using a mutable Lagoudas MATLAB code for various coil radii, environment temperatures, and coil lengths. The computational m

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Publication Date
Mon Feb 01 2016
Journal Name
Journal Of Economics And Administrative Sciences
Variables yet and future help in the development of human resources
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 This research aims to study a range of yet and future variables that can affect human resources in Iraq and public organizations that influence the size of each, and the extent of its contribution to the development of human resources through the National Investment Commission of Baghdad. The identified research problem in a set of questions was the most important, what are the variables that help in the development of human resources to the Investment Commission of Baghdad theme of the search, in order to achieve the goal of research and answer questions about the problem, applied research on both the research community's (55) individual executives and employees.

 Researcher has identified a r

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Publication Date
Sun Jan 22 2012
Journal Name
Arabian Journal Of Geosciences
Geohistory analysis and basin development of the Neogene succession, NE Iraq
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Publication Date
Fri Dec 01 2023
Journal Name
Political Sciences Journal
The Logic of Balancing in Structural Realism: Anarchy and Expansionist Policies
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This research discusses the logic of the balance of power in the field of International Relations. It focuses on the structural-systemic version of the theory because of its centrality to the realist research program within the field. The paper examines the conventional wisdom, which argues that balances of power, in a self-help system, will form regardless of the state’s motives (or intentions); It emerges as an unintended recurring consequence of the interaction of units in anarchy, which primarily seeks superior, not an equal power. This logic assumes that hegemony does not form (or fail) in a multi-state system, because its threats (actual or perceived) to the system instill fear and provoke counterbalancing behavior by other state

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Publication Date
Thu Jan 31 2019
Journal Name
Journal Of The College Of Education For Women
The development of imaginal thinking and its relation with adults' problems
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The behavior of thinking is consider one of the modern concepts that appear in the last 20 years, this concept has attracted the attention of psychologists and researchers for thinking has a great role in many fields like teaching ,educational,economical,cultural and social fields.
One of thinking manner is imaginal thinking that has a great role in human civilization. imaginal thinking lead to innovation ,poems, inventions and arts. imaginal thinkingled to highscores in talented schools by escalating their thinking range and solving problems that consider one of organized and free assumption thinking.
The development of problems thinking strategies reflect the development of organized brain process ability.
That studies assumes

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Publication Date
Tue Jan 01 2019
Journal Name
Opción: Revista De Ciencias Humanas Y Sociales
Main tendencies in the category of number in Japanese and Swahili
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Publication Date
Tue Sep 10 2024
Journal Name
Iraoi Academic Scientific Journals
The Psychological and Physical Life Difficulties of Patients with nerve fascicle
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Publication Date
Fri Sep 30 2022
Journal Name
Nasaq Journal
The Demonic Image of Autoimmunity in Dan Brown's Angels and Demons
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Autoimmunity is a philosophical term that enhances the fields of life-sciences, and links out to the unnatural behaviour of an individual. It is caused by the defenses of an organism that deceive its own tissues. Obviously, the immune system should protect the body against invading cells with types of white blood cells called antibodies. Nevertheless, when an autoimmune disease attacks, it causes perilous actions like suicide. Psychologically, Jacques Derrida (1930-2004) calls autoimmunity a double suicide, because it harms the self and the other. In this case, the organ disarms betraying cells, as the immune system cannot provide protection. From a literary perspective, Derrida has called autoimmunity as deconstruction for over forty years

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Publication Date
Fri Jun 02 2023
Journal Name
Alustath Journal For Human And Social Sciences
THE SEMANTIC ANALYSIS OF PHRASAL VERBS IN AMERICAN AND BRITISH TEXTS
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Publication Date
Sun Apr 06 2014
Journal Name
Journal Of Educational And Psychological Researches
The reality of child labor in Baghdad ... And access to treatment
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  The phenomenon of child labor, any activity performed by a child and represents a contribution to the production, this phenomenon had been rife in Iraqi society, after that the proportion of child labor for the age group (6-14 years) amounting to 3% in 2006, became for  the same age group of 8% in 2008*.                                                      

It is recognized that each phenomenon reasons, the phenomenon which our atten

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