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Calculation of Stabilization Energy of Tetrahedrane with its Nitrogen Substituted Derivatives by DFT Method and Driving an Empirical Relation Connect it with Charge Functions of the Molecule
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In this work the strain energy of tetrahedrane and its nitrogen substituted molecules were calculated by isodesmic reaction method according to DFT quantum chemical fashion, the used basis set was 6-31G/B3-LYP, in addition all structures were optimized by RM1 semi-empirical method. From the obtained data we estimate an empirical equation connect between strain energy of the molecule with charge functions represented by dipole moment of the molecule plus accumulated charge density involved within the tetrahedron frame plus the number of nitrogen atoms. The results indicate the charge spreading factors by polarization and processes are the most important factors in decreasing the strain energy.

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Publication Date
Sat Dec 01 2012
Journal Name
Journal Of Economics And Administrative Sciences
Critical Success factors of Strategic Information system and it's relation with Strategic Decisions Effectiveness
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The organization uses many techniques and methods to ensure that they will succeed and adapted with velocity change in the internal and external environment by decision taking, especially strategic decisions.

Strategic decisions are very important for organization success because it can predict the future and deal with uncertainty, in this circumstances they need accurate and comprehensive information to make effective strategic decision.

To achieve that purpose it must owned successful Strategic Information System ( SIS ) and determined the critical success factors for this system ,which can assisted the worker to focus on the important activities to develop it.

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Publication Date
Thu Jun 30 2022
Journal Name
Iraqi Journal Of Science
Detection of Efflux Pumps Gene and Relation with Antibiotics Resistance in Uropathogenic Escherichia Coli (UPEC) Isolated from Patients with Cystitis
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Background: In recent years, the multidrug-resistant (MDR) Escherichia coli has increased in urinary tract infections (UTIs). One of the highly distributed chromosomally encoded traits of resistance is efflux pump. The current study aimed to investigate the most common members of 5 classes of efflux pumps among uropathogenic E. coil isolates.

Methodology: E. coli isolates were isolated using conventional bacteriology tests   and confirmed by the uidA gene. An antibiotic susceptibility test has been done against 25 antibiotics using disc diffusion method. Efflux pump genes have been examined via polymerase chain reaction. Biofilm formation was investigated by a

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Publication Date
Wed Jun 01 2022
Journal Name
Iraqi Journal Of Physics
Theoretical Investigations of Electronic and Optical Properties of Vanadium Doped Wurtzite Zinc Oxide from First Principle Calculation Method
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In this study lattice parameters, band structure, and optical characteristics of pure and V-doped ZnO are examined by employing (USP) and (GGA) with the assistance of First-principles calculation (FPC) derived from (DFT). The measurements are performed in the supercell geometry that were optimized. GGA+U, the geometrical structures of all models, are utilized to compute the amount of energy after optimizing all parameters in the models. The volume of the doped system grows as the content of the dopant V is increased. Pure and V-doped ZnO are investigated for band structure and energy bandgaps using the Monkhorst–Pack scheme's k-point sampling techniques in the Brillouin zone (G-A-H-K-G-M-L-H). In the presence of high V content, the ban

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Publication Date
Sat Mar 11 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
On the Degree of Best Approximation of Unbounded Functions by Algebraic Polynomial
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  In this paper we introduce a new class of degree of best algebraic approximation polynomial Α,, for unbounded functions in weighted space Lp,α(X), 1 ∞ .We shall prove direct and converse theorems for best algebraic approximation in terms modulus of smoothness in weighted space

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Publication Date
Sun Apr 17 2016
Journal Name
Al-academy
The art of make-up and its relation to personality play: زيد سالم سليمان
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It is well known that the art of theater is based on multiple elements come in the forefront of Representative and his work, and must be of such a representative of the kits help him to complete his work and take it out the image that aspires to it is team work, and these supplies are in the two main axes:First: Internal supplies which runs from the imagination through the focusing and memory Representative and adapts to situations and positions and others.The second is a foreign supplies, which starts from his words and gestures and his movement and his voice, which is the need to requirements help to maturation and completion of this aspect, including the lighting, costumes, decor, make-up, is the role of make-up theater and its import

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Publication Date
Fri Mar 26 2021
Journal Name
Chemical Papers
DFT, anticancer, antioxidant and molecular docking investigations of some ternary Ni(II) complexes with 2‑[(E)‑[4‑(dimethylamino) phenyl]methyleneamino]phenol
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The biological activities of some ternary nickel complexes with a Schiff base obtained from 4-dimethylaminobenzaldehyde and 2-aminophenol have been reported. The Schiff base ( HL1) acts as a primary ligand whereas, anthranilic acid ( HL2), 2-nitroaniline ( HL3), alanine ( HL4) and histidine ( HL5) act as secondary ligand or co-ligand. The anticancer activity of these compounds was studied against human colon carcinoma (HCT-116), human hepatocellular liver carcinoma (HEPG-2) and human breast carcinoma (MCF-7) cell lines. As per the results, the compounds were active against the cell lines. The antioxidant activity of the same compounds was evaluated using DPPH (1,1-diphenyl-2-picryl-hydrazyl) radical scavenging and compared with ascorbic aci

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Publication Date
Thu Nov 02 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
The Relation Between Oxygen Therapy Duration and Free Radical Generation In Infants With bronchiolitis
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Oxygen therapy (OT) is considered    an essential process for

survival for the i nfants with bronchiolitis > However, it may reach the status of being harmful when using it for along beriod . We , here, attempted to shed a light on relations between oxygen therapy duration(OTD)   and each of serum malondialdehyde (MDA) that is used as index for free radical generation , and serum albumin level , in infants with bronchiolitis . Our results   confirmed  that  (OTD) from (1-48) hr. was non effective,  while from 49 was very effective where a grave in crease in serum (MDA)level and a decrease in serum albumin concentration were observed during that time . The relation between age a

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Publication Date
Mon Apr 01 2019
Journal Name
Journal Of Educational And Psychological Researches
Dogmatism and Its Relation to Behavioral Problems of Preparatory School Students
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 The study aims to identify the relationship between Dogmatism and the behavioral problems among preparatory school students. To do this, the researcher adopted Rokeach’s scale of dogmatism, which was modified to be more appropriate of the Iraqi context. A sample of (300) students was chosen randomly to collect the needed data for the current study. To process the data, the researcher employed T-test, Pearson correlation coefficient, and Weighted Mean. The finding revealed that the study sample experience too many behavioral problems, as well as there is a positive strong relationship between Dogmatism and behavioral problems. To conclude, the researcher recommended holding counseling sessions targeting school students to mitigate

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Publication Date
Mon Feb 14 2022
Journal Name
Journal Of Educational And Psychological Researches
Family Dialogue of Kindergarten’s Parents and its Relation to Children’s Fears
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The research aims at Identifying family dialogue of kindergarten’s parents. 2)  Exploring the fears that kindergarteners suffer from. 3) Identifying family dialogue of kindergarteners’ parents and the fears of their children. To achieve the aim of the research, the researcher designed two scales: one for the family dialogue of kindergarteners’ parents, and the other for the fears of the kindergarten’s child. To identify the relationship between these two elements, the scale subjected to the consultation of a group of specialized expertise in educational and psychological sciences to certify the propriety of the items. The reliability of the scale of the family dialogue recorded (0.85). As for the scale of children’

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Publication Date
Wed Oct 12 2022
Journal Name
College Of Islamic Sciences
Keeping abreast of the provisions of Islamic Sharia with the contemporary reality and its developments
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In The Name Of God the Most Gracious, the Most Merciful [Should he not know he that created? And he is the one that understands the finest mysteries (and) is well-acquainted] surah Al-Mulk verse No. (14), this Qur’anic verse is one of the pieces of evidence that indicates the suitability of Sharia for the human life, since God Almighty created the creation and he is the best-known concerning the needs of his creation to survive and for life to continue.

One of the key ways for the continuity of human life is Sharia's possession of the feature of suitability for every time and place, and for the whole world, and it is comprehensive to all the details of life and its integrated systems, a systems that comp

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