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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 Dec 31 2017
Journal Name
College Of Islamic Sciences
Westernization in the sciences of rhetoric, its beginnings and development
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Research summary

 


Westernization is a term not familiar to our scholars at the beginning of the emergence of translation from Western literature, sciences and arts in its detailed form now.

Westernization was not an issue that those Greeks, Persians, Romans, Indians and others worked on translating those sciences and cultures. Rather, it was a process of transferring a new philosophy and logic that had not been previously seen by the Arabs, so they were affected by it in a strange way, to the point of fascination by some of them. For this reason, this research came to clarify these issues and address them within the scientific methodology.

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Publication Date
Sat May 16 2009
Journal Name
Journal Of Planner And Development
Value Engineering and the Possibility of Its use in Architecture
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Value Engineering is an analytical study on projects or services using a specific procedure and a multidisciplinary working group, works for the identification and classification of the project functions; either for a better perfuming of these functions or to lessen the total project cost or the two together. Value Engineering main aim is on finding innovative alternatives, without effecting the basic requirements of the project, its methodology based on the functional balancing between the three elements of production "performance, quality and cost". This methodology based on the "functional analysis", had shown high possibilities in solving any problem facing the production procedure , achieve better investment for available re

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Publication Date
Mon Jan 01 2024
Journal Name
Journal Of Law And Political Sciences
CONDITIONS OF COMPULSORY SALE AND THE RIGHT TO BE COLLECTING
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Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
The Kinetic responses and foraging behavior of Drosophila melanogaster larvae
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Adaptive responses in larval behavior may be of two kinds: Taxis: This involves a change in direction relative to source of a stimulus. Kinesis: Kinesis has no directional component, but involves change in the rate of performance in response to a stimulus. Drosophila larvae exhibited flexible behavioral responses associated with food acquisition and selection for different environmental conditions. In this investigation, we are concerned explosively with kinetic responses to food viability. Third instar larvae were subjected to test for thirty minutes in each of the following conditions i) in distilled water, ii) in Ringer's solution, iii) in glucose solution and on live yeast suspension. In each case the larva was in a thin layer of solu

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Publication Date
Thu Jan 01 2015
Journal Name
Political Sciences Journal
Intellectual vision of the Justice and Development Party in Turkey
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شهد العالم مع بداية القرن الحادي والعشرين تدشين مرحلة جديدة من التطور شملت مختلف الميادين لاسيما في مجال التطورات العلمية والثورة المعلوماتية.. كما إن مسار الديمقراطية في بعض دول العالم يصبح سالكا خاصة في تركيا, فمنذ اواسط الثمانينيات من القرن الماضي فتح المجال السياسي امام قوى كانت مسحوقة ومهمشة, ويكاد ان لا يكون لها وجود في الحياة السياسية للنزول الى ساحة العمل السياسي اسوة ببقية القوى ا

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Publication Date
Tue Jun 22 2010
Journal Name
Journal Of Al-nahrain University
STUDY THE STRUCTURAL AND ELECTRICAL PROPERTIES OF CdTe:Ag THIN FILMS
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The influence of silver doped n-type polycrystalline CdTe film with thickness of 200 nm and rate deposition of 0.3 nm.s -1 prepared under high vacuum using thermal co-evaporation technique on its some structural and electrical properties was reported. The X- ray analysis showed that all samples are polycrystalline and have the cubic zinc blend structure with preferential orientation in the [111] direction. Films doping with impurity percentages (2, 3, and 4) %Ag lead to a significant increase in the carrier concentration, so it is found to change from 23.493 108 cm -3 to 59.297 108 cm -3 for pure and doped CdTe thin films with 4%Ag respectively. But films doping with impurity percentages above lead to a significant decrease in the electrica

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Publication Date
Sat Apr 01 2023
Journal Name
Iop Conference Series: Earth And Environmental Science
Evaluating the Performance of Combined Equipment (RAU) and Field Tested
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Abstract<p>An experiment was carried out evaluate the performance of RAU combined equipment under three levels of practical speed, (V1) 4.06 km. h<sup>-1</sup>, (V2) 4.43 km. hr<sup>-1</sup> and (V3) 5.76 km. hr<sup>-1</sup>, and three levels of depth with 10,20and 30 cm. It is denoted by D1, D2, D3 respectively. A split plot design was used within the RCBD design with three replications. The experiment results showed that the first practical speed 4.06 km.hr<sup>-1</sup> achieved the lowest slippage percentage from 9.61%, lowest traction power 14.65hp, lowest soil penetration resistance to1.34 kg.cm<sup>-2</sup>, and the highest total operating </p> ... Show More
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Publication Date
Tue Dec 31 2019
Journal Name
Journal Of Economics And Administrative Sciences
The Causes and Effects of Earnings Management on Stock Prices
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This study uses the performance of the discretionary estimation models by using a sample of listed companies in the Netherlands and Germany. The actual accounting framework provides a wide opportunity for managers to influence data in financial reporting. The corporate reporting strategy, the way managers use their discretionary accounting, has a significant effect on the company's financial reporting. The authors contribute to the literature through enhancement to these models to accomplish better effects of identifying earnings management as well as to present evidence that is particular to the Dutch and German setting.

For this, we followed the methodology of Dechow, Sloan, and Sweeney (1995) and Chan

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Publication Date
Sat Jun 06 2020
Journal Name
Journal Of The College Of Education For Women
The Educational and Psychological Problems of Distinguished Students: علم النفس
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The present research aims at identifying the educational problems and psychological problems of distinguished students at the intermediate level. The research sample consists of (246) students who are randomly selected from four distinguished schools (2) in the Karkh\1 and (2) in the Rusafa\2.

The researcher has constructed two scales for measuring the educational and psychological problems. She ensures the psychometric characteristics of the two scales. Alph-Cronbach and test-retest methodsare used to ensure reliability. Some statistical treatments are used to find out the aims of research. These treatments include the one-sample T-test, two independent samples T-test, and the Pearson correlation coefficient. The results show th

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Publication Date
Sun Dec 01 2013
Journal Name
Political Sciences Journal
Arab political systems: the problems of politics and governance Entrance
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Arabian Political Regimes: Problems of Policies and Rule; An Introduction to Interpreting (The Arabian Spring) The Arab Region witnessed, since 2011, critical changes overthrew a group of Arab regimes in some of its countries, and the reaction of these changes are still going on up to now. These changes were given lots of justifications and interpretations. The current study tries to concentrate on the most important problems which were due to what was known as (The Arab Spring). The study proposes that the crisis which the countries of the area are exposed to is not spontaneous in many of its aspects. It is totally a crisis of rule and policies. Because it is a reflection of the nature of authority in the Arabian regimes on the one hand

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