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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 May 17 2018
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis , Characterization and Study of Biological Activity of Some New Schiff Bases ,1,3-Oxazepine and Tetrazole Derived from 2,2 di thiophenyl Acetic Acid
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         In this study  new  derivatives  of  Schiff bases 5-8 , 1,3- oxazepine  9-16 and tetrazoles 17-19 have  been synthesized from the new starting  material 1 which has  synthesized  the reaction of  one mole of dichloro acetic acid and two moles of  thiophenol , the esters  2-3 were synthesized from the reaction of  compound 1 with methanol or ethanol respectively  in the presence of  H2SO4  as  catalyst  then 2,2-dithiophenylaceto Hydrazide  4 were synthesized from the reaction of  2 or 3 with hydrazine hydrate  80 % , Schiff bases 5-8 were  synthesized from the

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Publication Date
Wed Jan 01 2014
Journal Name
Journal Of Kerbala University 2014, Volume , Issue المؤتمر العلمي الثاني لكلية العلوم, Pages 42-50
Synthesis and characterization of Co(II), Ni(II), Cu(II), Cd (II) and Hg(II) complexes with new derivative of L-ascorbic acid
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Stable new derivative (L) Bis[O,O-2,3;O,O-5,6(carboxylic methyliden)]L-ascorbic acid was synthesized in good yield by the reaction of L-ascorbic acid with dichloroacetic acid with ratio (1:2) in presence of potassium hydroxide. The new (L) was characterized by 1H,13C-NMR, elemental analysis (C,H) and Fourier Transform Infrared (FTIR). The complexes of the ligand (L) with metal ion, M+2= (Cu, Co, Ni, Cd and Hg) were synthesized and characterized by FTIR, UV-Visible, Molar conductance, Atomic absorption and the Molar ratio. The analysis evidence showed the binding of the metal ions with (L) through bicarboxylato group manner resulting in six-coordinated metal ion.

Publication Date
Wed Oct 28 2020
Journal Name
Iraqi Journal Of Science
Synthesis and Characterization of New Polymers Bearing Tetrazole and Triazole Moieties with Studying their Corrosion Protection of Stainless Steel Surface in Hydrochloric Acid
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A series of polymers containing1,2,4-triazole  and tetrazole groups in their main chains were synthesized through several steps. Poly(acryloyl hydrazide) was first prepared and then subjected to a hydrazide reaction with phenyl isothiocyanate to give a 1,2,4-triazole ring (2). This polymer was introduced into a reaction with chloro acetylchloride to yield polymer (3), which was refluxed with sodium azide to give polymer (4). Polymer (5) was synthesized by the reaction of polymer (4) with  acrylonitrile in the presence of NH4Cl as a catalyst. Finally, polymer (6) was synthesized by the electrochemical polymerization of polymer (5) using  316L stainless steel as an anti-corrosion coating. Polymer-coated and uncoat

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Publication Date
Sun Mar 07 2010
Journal Name
Baghdad Science Journal
Sex Chromatin in New Hampshire Cocks
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Sex chromatin (SC) is defined as inactive X chromosome in the female somatic cells, it condensed as heterochromatic at interphase of the nucleus and appears like nuclear satellite projection, and only female cells contain SC in mammals. Different ages of cocks: immature (8,16 weeks old), growing (24 weeks old) and production age (32,48 weeks old) , were studied to detect the sex chromatin (SC) with it's various shapes :Sessile nodule(SS), Drum stick(DS), Tear drop(TD) and Club shape(CS) in the blood lymphocytes of blood smears prepared from WBCs of 45 New Hampshire(NH) strain cocks. Also SC measurements were detected which include: vertical (V) and horizontal (H) axes, SC area (SCA), nuclear area (NA), and the

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Publication Date
Wed Mar 01 2023
Journal Name
Baghdad Science Journal
Some New Results on Lucky Labeling
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Czerwi’nski et al. introduced Lucky labeling in 2009 and Akbari et al and A.Nellai Murugan et al studied it further. Czerwi’nski defined Lucky Number of graph as follows: A labeling of vertices of a graph G is called a Lucky labeling if  for every pair of adjacent vertices u and v in G where . A graph G may admit any number of lucky labelings. The least integer k for which a graph G has a lucky labeling from the set 1, 2, k is the lucky number of G denoted by η(G). This paper aims to determine the lucky number of Complete graph Kn, Complete bipartite graph Km,n and Complete tripartite graph Kl,m,n. It has also been studied how the lucky number changes whi

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Publication Date
Sat May 01 2021
Journal Name
Journal Of Physics: Conference Series
New Normality on Generalized Topological Spaces
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Abstract<p>A space X is named a πp – normal if for each closed set F and each π – closed set F’ in X with F ∩ F’ = ∅, there are p – open sets U and V of X with U ∩ V = ∅ whereas F ⊆ U and F’ ⊆ V. Our work studies and discusses a new kind of normality in generalized topological spaces. We define ϑπp – normal, ϑ–mildly normal, & ϑ–almost normal, ϑp– normal, & ϑ–mildly p–normal, & ϑ–almost p-normal and ϑπ-normal space, and we discuss some of their properties.</p>
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Publication Date
Tue Jan 01 2019
Journal Name
Indian Journal Of Public Health Research &amp; Development
The Effect of Special Exercises for those with (Cognitive Concentration) in the Development of Motor Satisfaction and Learning Some Types of Scoring Basketball for Students
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The importance of the research in the preparation of special exercises to develop some types of basketball scoring as a contribution to help the physical education teacher to find successful educational alternatives. The purpose of the study was to prepare special exercises for the cognitive (cognitive) survey in the development of motor satisfaction and learning some types of Scoring for basketball for students. Learn about the effect of cognitive exercises in cognitive development in students. The survey included students from the first stage of the Faculty of Physical Education and Sports Science \ University of Diyala (159) divided into 6 people. The sample was randomized by (b) and (b) D) and after dispersion by the standard method In

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Publication Date
Fri Mar 02 2018
Journal Name
Alustath Journal For Human And Social Sciences
The Relationship Between Spatial Ability And The Physical Structure of concepts to The Students of The College of Education for Pure
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          The research aims to identify the relationship between spatial ability  and the physical structure of concepts to the students of the Faculty of Education for Pure Sciences / Ibn al-Haitham، research involved students from the third class / morning study for the year 2011/2012  totaling (98) male and female students ،distributed into three groups which were selected randomly . The number of students (26 males and females)  represented research sample after excluding repeaters and absentees، the research included two tests ; one test of spatial ability، which included (20) items and other test the physical structure of concepts، which included (12) items distributed into four domains ، the first (linking b

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Publication Date
Tue Jun 15 2021
Journal Name
Al-academy
The Relations Of Design And The Role Of It Making The Idea For Fashion Design: فرات جمال العتابي
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Any design subject to a set of forces contributing to the establishment of relations working to strengthen the internal elements of the design; any imbalance in these elements can make a fragmented and weak design, thus preventing it from achieving the goal or performance. Poor performance can be attributed to various factors: the extent and function of the elements and principles in the design, realization of the idea, especially in fashion design.
Moreover, there are many aspects of a design that go into achieving the realization of the designer’s idea. The design utilizes a lot of stimulants by drawing attention to its design, which is consistent with the need for psychological and material individuals. In this research, we will

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Publication Date
Thu Feb 06 2025
Journal Name
Wasit Journal Of Sports Sciences
The impact of the Needham model on learning the skills of dribbling and handling in football for students
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