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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
Tue Aug 01 2023
Journal Name
Journal Of Engineering
Geomechanics Analysis of Well Drilling Instability: A Review
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Wellbore instability is a significant problem faced during drilling operations and causes loss of circulation, caving, stuck pipe, and well kick or blowout. These problems take extra time to treat and increase the Nonproductive Time (NPT). This paper aims to review the factors that influence the stability of wellbores and know the methods that have been reached to reduce them. Based on a current survey, the factors that affect the stability of the wellbore are far-field stress, rock mechanical properties, natural fractures, pore pressure, wellbore trajectory, drilling fluid chemicals, mobile formations, naturally over-pressured shale collapse, mud weight, temperature, and time. Also, the most suitable ways to reduce well

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Publication Date
Wed Apr 12 2023
Journal Name
Periodical Of Engineering And Natural Sciences
Digital citizenship for faculty of Iraqi universities
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Publication Date
Wed Mar 01 2017
Journal Name
Un Published
Search Engine for Identification of Personal Images
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Publication Date
Fri Jun 01 2018
Journal Name
Journal Of Engineering
Derivation of Operation Rule for Ilisu Dam
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Tigris River water that comes from Turkey represents the main water resource of this river in Iraq. The expansion in water river implementations has formed a source of trouble for the workers in the water resources management field in Iraqi. Unfortunately, there is no agreement between Iraq and Turkey till now to share the water of this international river. Consequently, the optimal operation of water resources systems, particularly a multi-objective, multi-reservoir, is of the most necessity at the present time.

 In this research two approaches, were used the dynamic programming (DP) approach and simulation model to find the optimal monthly operation of Ilisu Dam (from an Iraqi point of view) through a comp

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Publication Date
Sun Dec 31 2000
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Production of Castor Oil for Medical Uses
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Publication Date
Mon Feb 13 2023
Journal Name
Journal Of Educational And Psychological Researches
Measurement of Classroom Flexibility for Kindergarten Childre
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The current research aims to identify measure classroom flexibility for kindergartens children, identify the correlation between the classroom flexibility of kindergartens children and the gender of the child, and identify the correlation between the classroom flexibility of kindergartens children and their classroom. The current research sample consisted of (200) boys and girls selected randomly from the governmental Riyadh affiliated with the six directorates of education of Baghdad on both sides (al-karkh - al-rasafa). in order to achieve the objectives of the current research, this required including two tools, one is the scale of classroom flexibility for the kindergartens' children, which was constructed by the researcher based on

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Publication Date
Sun Jul 01 1990
Journal Name
Bulletin Of The Iraq Natural History Museum (p-issn: 1017-8678 , E-issn: 2311-9799)
SYSTEMATIC LIST OF COCCINELLIDAE RECORDED FOR IRAQ
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The following list comprises sixty-one species and subspecies of coccine¬llid beetles belonging to twenty-two genera distributed among six tribes in three subfamilies. All the species and subspecies have been recorded for Iraq. The categories have been arranged systematically according to Korschefsky's (1931) catalogue.

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Publication Date
Mon Jun 01 2020
Journal Name
Journal Of The College Of Languages (jcl)
Failure of Comedy in Waiting for Godot
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Many critics suggest that Beckett’s early plays are comic because they focus their analyses on the use comic elements. Waiting for Godot is one of Beckett’s early plays, and it has been heavily analyzed and read as a comic text partly because its subtitle is “a tragicomedy in two acts” and also because of the comic techniques used in the play. The present paper, however, attempts to read the play as a piece in which comedy fails to produce any effects on the characters who remain apparently very desperate and frustrated throughout the play. The characters perform different comic acts, but they do not really feel amused or entertained. The paper suggests that the acts these characters put on stage are only means to pass t

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Publication Date
Thu Jan 31 2019
Journal Name
Journal Of The College Of Education For Women
Appearances of family Disintegration for Delinquency females
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Family social institution mission in the community, if and repaired Magistrate society and often lead that institution a positive role in the socialization, but a variety of factors ailing infect system family Vtfkdh role effective and influential in society and stands at the forefront of those factors disintegration family, whether caused by the death of one or both parents, divorce or separation, or whether the result of domestic weakness and poor family behavioral practices. And gaining the study of great importance and that the scarcity of studies that address the problem of delinquency female, is no secret that stand on the fact the role of disintegration family in the events of that problem will help and a large degree in the devel

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Publication Date
Wed Apr 01 2020
Journal Name
Journal Of Construction Engineering And Management
Development of Assessment Tool for Workforce Sustainability
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