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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
Sun Jul 01 2018
Journal Name
Journal Of Educational And Psychological Researches
Emotional Innovation and Its Relation to Foresight, Meditation, and Constructive Thinking among University Students
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The study aims to examine the emotional innovation, constructive thinking, foresight, and meditation among university students. Besides, attempts to explore the relationship between emotional innovation and constructive thinking, the relationship between emotional innovation and foresight, and meditation, the relationship between constructive thinking and foresight, and meditation, finally, the relationship among emotional innovation, constructive thinking, foresight, and meditation of university students regarding the variables of gender and major. A total of (400) students were selected as a sample for the study. The results revealed that university students have a high level of emotional innovation that induce them to take positive ro

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Publication Date
Thu Mar 31 2022
Journal Name
Journal Of The College Of Education For Women
The Impact of a Counseling Program with a Cognitive Reconstruction Method on the Development of the Psychological Hardness among Middle School Students
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The current research aims to determine the impact of the cognitive reconstruction program on the development of psychological hardness among middle school students through the experimental verification of three hypotheses. The research sample consisted of (16) out of (450) students selected from Ibn Rushud preparatory school- Al-Rusafa 2. These participants have been randomly distributed into two equal groups. The researcher has used the method of cognitive reconstruction with the experimental group, whereas with the controlling group, he used nothing. The researcher has further used the scale of psychological hardness of Kobassa with the participants; the scale has been built in a way that suits the sample of the study, which consisted

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Publication Date
Wed Apr 01 2020
Journal Name
Journal Of Economics And Administrative Sciences
The Impact of Plagiarism on the Quality of Scientific Researches “Empirical Study”
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The purpose of this research is to study the quality of scientific research at the University of Baghdad in light of scientific piracy and plagiarism of research and results and attribute it to others intentionally or unintentionally. Proactive writing such as stealing ideas or synthesizing the results of one another over others and its negative impact on the quality of scientific outputs and the reputation of educational organizations through an exploratory study in the faculties of the University of Baghdad, scientific and humanitarian. As for the aims of the study, it was determined by determining the negative impact of piracy on scientific research. A Likert five-point scale was used in this research. The research community c

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Publication Date
Tue Mar 01 2016
Journal Name
Journal Of Engineering
Energy Dissipation on the Ogee Spillways by Using Direction Diverting Blocks
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The purpose of this study is to evaluate the hydraulic performance and efficiency of using direction diverting blocks, DDBs, fixed on the surface on an Ogee spillway in reducing the acceleration and dissipating the energy of the incoming supercritical flow. Fifteen types of DDB models were made from wood with a triangulate shape and different sizes were used. Investigation tests on pressure distribution at the DDBs boundaries were curried out to insure there is no negative pressures is developed that cause cavitation. In these tests, thirty six test runs were accomplished by using six types of blocks with the same size but differ in apex angle. Results of these test showed no negative pressures developed at the boundarie

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Publication Date
Thu Aug 03 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis and Characterization of Novel Tetradentate ligand Type N4 and its Complexes With CoII,NiII,and PdII.
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           A  new  Schiff base  ligand  [2,3,8,9–tetra -phenyl-1,4,5,7,10,12-hexa azo-5,12- dihydro -6,11- dione 1,3,7,10-dudec-tetra-ene]  [H2L]  and  its  complexes In general formula [M(H2L)]Cl2 (where : M= CoII, NiII, and PdII) were prepared. This ligand was prepared in two steps,in the first step a solution of  benzil in methanol was reacted  under  reflux   with    semicarbazidhydrochlorid  to give an (intermediate compound)[benzyl bis–(Semicarbazone)] which was  reacted  in the  second   step with  benzil giving  the  mentioned  ligand. The

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Publication Date
Thu Jun 29 2023
Journal Name
Journal Of University Of Babylon For Pure And Applied Sciences
Genetic Detection of IMP-1 Gene and its Relationship with Biofilm Formation in Klebsiella pneumonia
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Background: Klebsiella pneumoniae were considered as normal flora of skin, and intestine. It can cause damage to human lungs; the danger of this bacterium is related to exposure to the hospital surroundings. materials and methods: the detection of Klebsiella pneumoniae on morphological and biochemical tests and then assured with VITEK 2 system. Resistance to antibiotics was determined by Kirby-Baeur method. And genotyping of IMP-1 in isolates was done by PCR technique, then biofilm formation was identified by Micro titer plate method. Results: The present study included a collecting of 50 specimens from different clinical specimens, (blood 40%, urine 30%, sputum 20%, wound infection 10%); 10 isolates were identified as K

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Publication Date
Fri Jun 20 2025
Journal Name
Journal Of Physical Education
Agility and its relationship with of scoring accuracy for young footballers aged (14-16) years
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Publication Date
Mon Jan 30 2023
Journal Name
Iraqi Journal Of Science
Study the Effect of Oxygen on Coronene Electronic and Spectroscopic Properties via the Density Functional Theory (DFT)
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    The electronic properties (such as energy gap HOMO levels. LUMO levels, density of state and density of bonds in addition to spectroscopic properties like IR spectra, Raman spectra, force constant and reduced masses as a function of frequency) of coronene C24 and reduced graphene oxide C24OX , where x=1-5, were studied.. The  methodology employed was  Density Functional Theory (DFT) with Hybrid function B3LYP and 6-311G** basis sets. The energy gap was calculated for C24 to be 3.5 eV and for C24Ox was from 0.89 to 1.6862 eV  for x=1-5 ,respectively.   These energy gaps values are comparable to the measured gap of Graphene (1-2.2 eV). The spectroscopic properties were  compared with experimental measurements, specificall

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Publication Date
Sat Jan 23 2021
Journal Name
Neural Computing And Applications
Multi-objectives TLBO hybrid method to select the related risk features with rheumatism disease
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Publication Date
Mon Mar 08 2021
Journal Name
Baghdad Science Journal
Hair Is An Indicator Oe Human Pollutants With The Toxic Substances
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Hair is an excellent indicator for abnormal concentration of toxic elements , In this study a random samples from girls hair of 12 cm long were irradiated by a flux of neutrons (4x10^ n/ cm^.s) obtained from an Am-Be neutron source of 5-Ci activitity . The y-ray activity measurements were carried out by using a " 5x5 " well- type Nal (Tl) detector. The study indicates clearly that the maximum concentration of elements was at about 7 cm hair length.

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