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Study of the Interaction Between Reduced Graphene Oxide and NO<sub>2</sub>Gas Molecules via Density Functional Theory (DFT)
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Electronic properties such as density of state, energy gap, HOMO (the highest occupied molecular orbital) level, LUMO (the lowest unoccupied molecular orbital) level and density of bonds, as well as spectroscopic properties like infrared (IR), Raman scattering, force constant, and reduced masses for coronene C24, reduced graphene oxide (rGO) C24O5and interaction between C24O5and NO2gas molecules were investigated. Density functional theory (DFT) with the exchange hybrid function B3LYP with 6-311G** basis sets through the Gaussian 09 W software program was used to do these calculations. Gaussian view 05 was employed as a supplementary software to investigate the geometrical structure of C24, C24O5and the interaction of C24O5with NO2gas molecule. It shows the energy gap of coronene C243.5 eV because the effect of quantum confinement and the Coulomb interaction geometry greatly influence the quasi-particle band gap and C24Oxwhere x = 1–7 was from 0.89 eV to 1.6862 eV a function of number of oxygen atoms and compared with the experiment value of graphene oxide which was between 1 eV and 2.2 eV. The spectroscopic properties were compared with the experiment value of graphene, graphene oxide and NO2longitudinal optical (LO) modes of 1 585, 1 582 and 1 600 cm−1, respectively. The transition state of the interaction of rGO with nitrogen dioxide and Gibbs energy, enthalpy, activation entropy and reaction at various temperatures between 25°C and 100°C were calculated. The activation energy of C24O5with nitrogen dioxide decreases with increasing temperature.

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Publication Date
Fri Jun 01 2012
Journal Name
Journal Of Engineering
New Correlation To Calculate Absolute Permeability From Gas Permeameter
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In this study, two correlations are developed to calculate absolute rocks permeability from core samples tested by Gas Permeameter Apparatus. The first correlation can be applied if K g≤100, the second correlation can be applied if Kg>100. Sixty core samples having different permeabilities to give a wide range of values that necessary to achieve a correlation.

 

The developed correlation is easily applied and a quick method to avoid repeating the test at different pressure values. Only one pressure test is required to reach absolu

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Publication Date
Thu Jan 22 2015
Journal Name
مجلة التربية الاساسية
Synthesis and Characterization of Some New Heterocyclic Compounds Via Unsaturated Ketone with Evaluating of Their biological Activity
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Publication Date
Thu Oct 19 2023
Journal Name
Journal Of Optics
Production and characterization of porous silicon via laser-assisted etching as photodetector: effect of different HF concentrations
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Publication Date
Mon Mar 01 2021
Journal Name
Journal Of Physics: Conference Series
Iterative Methods for Approximation of Fixed Points Via Like Contraction Mappings
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Abstract<p>The aim of this paper, is to study different iteration algorithms types two steps called, modified SP, Ishikawa, Picard-S iteration and M-iteration, which is faster than of others by using like contraction mappings. On the other hand, the M-iteration is better than of modified SP, Ishikawa and Picard-S iterations. Also, we support our analytic proof with a numerical example.</p>
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Publication Date
Sun Sep 29 2019
Journal Name
Iraqi Journal Of Science
Optical Properties of Mixed ZnO: Fe2O3 Grown via Pulsed laser deposition
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In this study, mixing of  zinc oxide (ZnO) nanoparticles with iron oxide(Fe2O3) at      (0, 0.1, 0.3, 0.5 and 1)%wt., are deposited on glass substrates by pulsed laser deposition (PLD) technique for study characterization ZnO:Fe2O3 as solar cell electrode. The profound effect of mixed film on the structural and optical of ZnO: Fe2O3 thin films was observed. Meanwhile, the films have polycrystalline Hexagonal structures for ZnO, Rhombohedra and cubic structure for Fe2O3, and as indicated by the X-ray diffraction patterns of the films. The mean crystallite size of ZnO increase with increasing mixed ratio. The direct energy

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Publication Date
Fri Jun 30 2023
Journal Name
Iraqi Journal Of Science
The Relation Between the Variation of Electrical Resistivity Values and Moisture of Soil at Baghdad University, Iraq
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     Six ERI profiles using Wenner Schlumberger array were carried out at Baghdad University (ALJadiriya campus) to investigate soil at two sites. The spacing between electrodes of four profiles surrounding the new building in the Campus at the first site is 1 m, and the profile length ranges from 50 to 90 m. In comparison, two across profiles in the garden to detect water seepage in the site. The inverted model of the studied profiles shows many high and low resistivity zone. The sedimentology and mineralogy of the soil samples analysis from a depth range of 15 to 100 cm from three pits confirm the high homogeneity of the soil in the studied site composed of (silt and clay). The low resistivity values coincided with the moisture a

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Publication Date
Sun Dec 01 2013
Journal Name
Journal Of Accounting And Financial Studies ( Jafs )
Strategic dimension for theory of constraints and its impact in decision making: بحث تطبيقي في الشركة العامة للصناعات الجلدية
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The research illustrated that the theory of constraints is   "A group of concepts and basics that aim at helping the management in order to determine the difficulties and how to overcome these difficulties through determining the necessary change and how these change can be done efficiently and effectively ".

       The research showed that the theory of constraint including its tools calls for magnifying throughput, constricting the product cycle , determining  the optimal production mix , utilization of scare resources and canceling the idle time , that achieving  throughput  increasing  then  increasing  profit .

      Moreov

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Publication Date
Sat Jan 01 2022
Journal Name
Proceeding Of The 1st International Conference On Advanced Research In Pure And Applied Science (icarpas2021): Third Annual Conference Of Al-muthanna University/college Of Science
Approximation fixed point theorems via generalized like contraction mappings
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Publication Date
Tue Oct 20 2020
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
New Games via soft-I-Semi-g-Separation axioms
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In this article, the notions  are introduced by using soft ideal and soft semi-open sets, which are - - - -closed sets " -closed" where many of the properties of these sets are clarified. Some games by using soft- -semi, soft separation axioms: like ( 0   ( 0  Using many figures and proposition to study the relationships among these kinds of games with some examples are explained.

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Publication Date
Fri Jan 01 2016
Journal Name
Pure And Applied Mathematics Journal
Memory Effects in Diffusion Like Equation Via Haar Wavelets
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