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.
This research aims to investigate the color distribution of a huge sample of 613654 galaxies from the Sloan Digital Sky Survey (SDSS). Those galaxies are at a redshift of 0.001 - 0.5 and have magnitudes of g = 17 - 20. Five subsamples of galaxies at redshifts of (0.001 - 0.1), (0.1 - 0.2), (0.2 - 0.3), (0.3 - 0.4) and (0.4 - 0.5) have been extracted from the main sample. The color distributions (u-g), (g-r) and (u-r) have been produced and analysed using a Matlab code for the main sample as well as all five subsamples. Then a bimodal Gaussian fit to color distributions of data that have been carried out using minimum chi-square in Microsoft Office Excel. The results showed that the color distributions of the main sample and
... Show MoreMan always reacts by employing data that he lives inside Artworks and he tries to make them an ideal speech that shows the most important intellectual trends to which he belongs, as it happened in the formal building of the ancient arts . Mesopotamia is one of the civilizations that interacted with the intellectual legibility transforming into visual symbols, so it is difficult for the researcher to interpret these symbols without considering the nature of these civilizations in general .
This current search aims to identify similarities and differences in the recruitment of cultural shapes between the works of the sculptors (Mohammed Ghani Hikmat and Murtada Haddad) .
Researcher adopted an approach of analytical description of the
The large number of failure in electrical power plant leads to the sudden stopping of work. In some cases, the necessary reserve materials are not available for maintenance which leads to interrupt of power generation in the electrical power plant unit. The present study, deals with the determination of availability aspects of generator in unit 5 of Al-Dourra electric power plant. In order to evaluate this generator's availability performance, a wide range of studies have been conducted to gather accurate information at the level of detail considered suitable to achieve the availability analysis aim. The Weibull Distribution is used to perform the reliability analysis via Minitab 17, and Artificial Neural Networks (ANNs) by approaching o
... Show MoreThe current research aims to determine the intellectual security and the psychological resilience of Secondary school students and how these two variables are related to each other. The study also seeks the extent to which psychological resilience contributes to intellectual security
The research sample consisted of (420) students from the Secondary stage in the Directorate of Education of Baghdad / Rusafa III. Two scales were administered to the participants to collect the needed data. As for the analysis of data, Pearson correlation coefficient, T-test, and the Regression analysis were employed, the results revealed:
- The members of the sample have an intellectual Security.
- The members of the sample have
In this work, the emission spectra and atomic structure of the aluminum target had been studied theoretically using Cowan code. Cowan code was used to calculate the transitions of electrons between atomic configuration interactions using the mathematical method called (Hartree-Fock). The aluminum target can give a good emission spectrum in the XUV region at 10 nm with oscillator strength of 1.82.
The hydrodynamic properties of laser produced plasma (LPP) were investigated for the purpose of creating a light source working in the EUV region. Such a light source is very important for lithography (semiconductor manufacturing). The improved MEDUSA (Med103) code can calculate the plasma hydrodynamic properties (velocity, electron density,
Background: Malaria remains a leading cause of mortality in sub-Saharan Africa (including Sudan). C-reactive protein (CRP) is useful as a marker of severity in malaria. African studies have shown that serum CRP levels correlate with parasite burden and complications in malaria, especially falciparum. However, there are no data on CRP levels in Sudanese malaria patients.
This study aims to evaluate the association between CRP levels with comorbidities, species, and complications of severe malaria
Subjects and Methods: A cross-sectional study enrolled 65 severe malaria patients at Khartoum state hospitals during the period from April to June2021. Manifestations of severe
... Show MoreAbstract:-
The title of the thesis (TAQWA "Piety", TAWAKKUL "Trusting” AND NIYYAH "Intention" ARE AMONG THE FACTORS OF ADJUSTMENT) is related to the first legislative source of Islam, the Qur’an, and highlights the positive effects while adhering to the teachings of Islamic Sharia in terms of its importance in building the individual and thus society.
In this study, the researcher follows the objective approach, which includes collecting verses that refer to the issue of piety, trust and intention, and studying the verses objectively according to the sources, language books, ethics, and so on.
I sought to give each topic important headings, then study the topic and clarify it in general, based on narrations an
... Show MoreThe aims of research is diagnose and indicate the role of fairness in the work of accounting, which is important in reducing the unacceptable practices to manage earnings by economic units, As well as the interpretation and indicate Ethical inside in the accounting and accountants in particular practices in the area of earnings management to reduce the negative effects of the practice and display the results mentioned acts according to what is supposed to be for the purposes of service users, Researchers have identified that one hypothesis, that "Fairness of accountants in of their work accounting lead to a reduction of earnings management practices". The results suggest that the accounting practices that lead to the manipu
... Show More