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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
Mon Feb 14 2022
Journal Name
Iraqi Journal Of Science
The effect of CKD fineness on the consistency and setting time of cement paste when adding it as a partial replacement of cement
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Cement kiln dust (CKD) is a waste of cement manufacture. The disposal dust becomes an environmental threat. In order to overcome this problem, researchers are carried out to find out the economical and the efficient means of utilizing it in various applications .One of these applications is adding it as partial replacement of cement. The aim of present work is investigating the effect of CKDs fineness on the consistency and setting time of cement, when utilized as a partial replacement. the CKD was grind by jet mill and classify into 7 groups according fineness (3000 , 6000 , 7000 , 8000 , 9000 , 10000 , 11000) cm2/gm then prepared blends with (5 ,10 , 15 , 20 , 25 , 30 , 35 and 40) % replacement by CKD for each fineness ,and compare bet

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Publication Date
Fri Jul 01 2022
Journal Name
Iraqi Journal Of Science
Application of the Elevation and Residual Static Correction methods on a selected Seismic data of West Luhais area in the South of Iraq
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The present study deals with processing of one seismic line (2WL2) with a length of (37km) for (2D) seismic data of west Luhais area that is located within the administrative borders of the province of Muthanna in south of Iraq. The quality of the recorded data of this line is in general weak due to the effect of noise mainly. The study was made up in oil Exploration Company by utilizing OMEGA software which consists of a great number of the processing programs. The elevation static correction and residual static correction were applied on the studied line and the final section were resulted after completing the treatment processes that proceed followed of the static correction process and the result of elevation static correcting was go

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Publication Date
Thu Feb 13 2025
Journal Name
Journal Of Physical Education
The effect of special exercises using a designer device and added relative weights to develop some of the physical abilities of volleyball players
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Publication Date
Wed Dec 26 2018
Journal Name
Iraqi Journal Of Science
Application of the Surface- consistent DE convolution on a seismic data of Al-Najaf and Al-Muthanna Governorates in the south of Iraq
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This study deals with the application of surface-consistent  deconvolution  to the two-dimensional seismic data applied to the Block 11 area within the administrative boundaries of Najaf and Muthanna Governorates with an area of ​​4822 , the processed seismic data of line (7Gn 21) is 54 km long. The study was conducted within the Processing Department of the Oil Exploration Company. The gap surface- consistent deconvolution was applied using best results of the  parameters  applied  were: The length of the operator 240, the gap operator 24, the white noise 0.01%, the seismic sections of this type showed improvement with the decay of the existing complications and thus give a good continuity of the reflectors

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Publication Date
Sun Dec 01 2019
Journal Name
Journal Of Accounting And Financial Studies ( Jafs )
The supervisory role of the central bank in the protection of commercial banks: An applied research in the Economy Bank for Investment and Finance
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Represents a supervisory and oversight role of the Central Bank  towards finding a sober banking sector, as the procedures , regulations and laws that the Central Bank insists on its implementation with the utmost precision, and that was to protect depositors and shareholders' class basis rights, but it is in the interest of the bank in the end, as it seeks to improve the performance of commercial banks and vaccinated against falling into the blunders, they also contribute to building a sober and stable banking sector and security contributes to the welfare and employment optimization of economic resources, and treatment of research (and the presence of banks decline in financial performance, according to financial performance indic

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Publication Date
Mon Oct 30 2023
Journal Name
Iraqi Journal Of Science
Oscillation of the Solutions for Hematopoiesis Models
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     In this paper, the oscillation of a Hematopoiesis model in both cases delay and non-delay are discussed. The place and are continuous pstive -rdic functions. In the nn-dlay cse, we will exhibit that a nonlinear differential equation of hematopoiesis model has a global attractor  for all different pstive solutions. Also, in the delay case, the sufficient conditions for the oscillation of all pstive solutions of it aboutare presented and we establish sufficient cnditions for the global attractive of. To illustrate the obtained results some examples are given.

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Publication Date
Thu Mar 05 2020
Journal Name
International Journal Of Psychosocial Rehabilitation
The history of rhythmic gymnastics for women
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Publication Date
Mon Mar 08 2021
Journal Name
Baghdad Science Journal
Calculation of the charcteristic electronenergy for mercury
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numerical study is applied to the mercury-argon mixture by solving the boltzman transport equation for different mixture percentage.

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Crossref
Publication Date
Tue Mar 30 2021
Journal Name
Journal Of Economics And Administrative Sciences
Employing the indicators of stereotypes and the dimensions of organizational clarity and their role in achieving the planned organizational behavior Analytical study on a sample of workers in some departments of the Faculties of Engineering, University of
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The current research examines the employment of indicators of stereotypes and the dimensions of organizational clarification to achieve planned organizational behaviour on a sample of employees in a number of departments of the Faculties of Engineering, University of Kufa, for a sample of (122) teaching staff. This research proposes the use of positive indicators of stereotypes for both the organization and employees and their awareness of what they want to obtain and what should be done for both parties and the removal of organizational clarity represented by the functional dimension that explores to what degree the employee's understanding of the internal strategy of the organization and the strategic dimension that searches fo

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Crossref
Publication Date
Sat Jun 30 2018
Journal Name
Journal Inspector General
Some examples of police errors - a comparative study of the scope of civil liability between American and Iraqi laws
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Police play an important role in any society. Where they maintain public order by stopping and deterring crime and bringing criminals to justice. In order to achieve these objectives, they have certain means of law (search, arrest, use of force that may be lethal in some cases). However, such means may be misused in a way that harms members of society such as (Exceeding the Scope of a search warrant, violation of privacy of individuals, False Imprisonment, Excessive use of force, Sudden Deaths in custody, Sexual Assault and Harassment, Failure to respond for Domestic violence calls), which raises the civil liability of police officers and their agencies for such damage. Police officers may even abuse their characteristics even outside offic

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