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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
Wed Mar 15 2023
Journal Name
Al-academy
Functional variables of responsive materials in product design
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The research discussed the topic of the functional role of responsive materials in being elements of a functional transformation in the design of industrial products, based on the study of the structures of smart materials and their performance capabilities at the level of action and self-reaction that characterize this type of materials.

Basic features of responsive materials have been identified to be elements of self-functional insertion into the industrial product design, which contributes to raising the efficiency and functional capacity of the industrial product and enhancing the ability of products to perform self-acting interactions in the structural structure of the material structure of the product and its ability to res

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Publication Date
Sat Sep 20 2025
Journal Name
Journal Of Sport Sciences
The school system and its relationship to the evolution of some indicators of physical and functional skills in a lesson and basketball
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Publication Date
Sun Oct 08 2023
Journal Name
الدراسات اللغوية والترجمية/translation Studies In Bait Al-hikma
Translating adjectives into Arabic in Chekhov’s story -ward No.6
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Chekhov is well known and perceived in Arab countries. His stories and plays are very popular. They translated it into Arabic by different translators from different languages of the world Many of his stories require new translation solutions to achieve partial, if not complete, equivalence. Chekhov's works are a very difficult subject to analyze and interpret, which is explained by the fact that Chekhov's collections are constantly republished in foreign languages. It is impossible to preserve in translation all the elements of the original text containing historical and national details but, of course, the reader should have the impression that they represent the historical and national situation. When translating, it makes sense to prese

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Publication Date
Fri Jul 12 2013
Journal Name
Journal Of Biosciences
A functional connection of Dictyostelium paracaspase with the contractile vacuole and a possible partner of the vacuolar proton ATPase
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Publication Date
Fri Mar 31 2017
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Synthesis and Characterization of 2(2-Tetrahydropyranylthio) methyl cyclopropylamine
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2(2-Tetrahydropyranylthio) methyl cyclopropyl amines were synthesized from allylmercaptan through several steps. The structures of the intermediates and the final products where confirmed through IR, NMR and elemental analysis, these compounds may be of value in the treatment of diseases  where free radicals are implicated in their pathogensis, since the thio and the amino groups of the synthesized compounds may act as free radical scavengers.

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Publication Date
Thu Dec 15 2022
Journal Name
Al-academy
The functional diversity of the directorial vision in the political theater cinema as a model
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It is very necessary for the political theater to be within the space of every theatrical performance, so that the theater carries the diverse and enlightened values and cultures of this world. political theatre. In the first chapter, the researcher dealt with (the methodological framework), which includes the research problem identified by the researcher with the following question (the functional diversity of the directorial vision in the political theater)
Importance, purpose, limits and seal by defining terminology.
In the second chapter, the researcher dealt with the theoretical framework on two topics, the first (transformations of directorial vision in theatrical performance) and the second topic (aesthetic experiences i

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Publication Date
Sun Dec 25 2022
Journal Name
International Journal Of Drug Delivery Technology
Green Synthesis of Silver Nanoparticles via Black and Green Tea and Study its Toxicity on few Vital Organs of Female Mice
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This study included synthesizing silver nanoparticles (AgNPs) in a green method using AgNO3 solution with glucose exposed to microwave radiation. The prepared NPs were also characterized using ultraviolet and visible (UV-vis) spectroscopy and scanning electron microscopy (SEM). The UV/vis spectroscopy confirmed the production of AgNPs, while SEM analysis showed that the typical spherical AgNPs were 30 nm and 50 nm in size for the NPs prepared using black tea (B) and green tea (G) as reducing agent, respectively. The changes in some of the biochemical parameters related to the liver and kidneys have been analyzed to evaluate the probable toxic effects of AgNPs. 40 adult male mice were included in this study. To assess the probable he

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Publication Date
Wed Dec 27 2023
Journal Name
Optical And Quantum Electronics
Synthesis and study of photoelectrochromic and photocatalytic behavior of double-layer N-doped TiO2/Co3O4 configuration via DC reactive magnetron sputtering
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This work introduces the synthesis and the characterization of N-doped TiO2 and Co3O4 thin films prepared via DC reactive magnetron sputtering technique. N-doped TiO2 thin films was deposited on indium-tin oxide (ITO) conducting substrate at different nitrogen ratios, then the Co3O4 thin film was deposited onto the N-doped TiO2 layer to synthesize a double-layer TiO2-N/Co3O4 Photoelectrochromic device. Several techniques were used to characterize the produces which are x-ray diffraction (XRD), field emission-scanning electron microscopy (FE-SEM), Fourier-transform infrared (FTIR) spectroscopy and UV–Vis spectroscopy. The Photoelectrochromic device was characterized by UV–Vis spectroscopy and the results show that the double-layer N-dope

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Publication Date
Sun Mar 01 2020
Journal Name
Iraqi Journal Of Physics
THE DIFFERENCE IN THE CHARGE DENSITY DISTRIBUTION OF 90Zr and 92Mo NUCLEI FROM ELASTIC ELECTRON SCATTERING
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The calculation. of the nuclear. charge. density. distributions. ρ(r) and root. mean. square. radius.( RMS ) by elastic. electron. scattering. of medium. mass. nuclei. such. as (90Zr, 92Mo) based. on the model. of the modified. shell. and the use of the probability. of occupation. on the surface. orbits. of level 2p, 2s eroding. shells. and 1g gaining. shells. The occupation probabilities of these states differ noticeably from the predictions of the SSM. We have found. an improvement. in the determination. of ground. charge. density. and this improvement. allow. more precise. identification. of (CDD) between. (92Mo- 90Zr) to illustrate the influence of the extra

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Publication Date
Thu May 17 2018
Journal Name
Ibn Al-haitham Journal For Pure And Applied Science
Synthesis, Characterization and Study of Biological Activity of Some New Schiff Bases, 1, 3-Oxazepine and Tetrazole Derived from 2, 2 di thiophenyl Acetic Acid
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In this study new derivatives of Schiff bases 5-8, 1, 3-oxazepine 9-16 and tetrazoles 17-19 have been synthesized from the new starting material 1 which has synthesized the reaction of one mole of dichloro acetic acid and two moles of thiophenol, the esters 2-3 were synthesized from the reaction of compound 1 with methanol or ethanol respectively in the presence of H2SO4 as catalyst then 2, 2-dithiophenylaceto Hydrazide 4 were synthesized from the reaction of 2 or 3 with hydrazine hydrate 80%, Schiff bases 5-8 were synthesized from the reaction of 4 with appropriate aldehyde or ketone. Treatment of Schiff bases with maleic and phathalic anhydride in dry benzene to give 1, 3-oxazepen derivatives 9-16 and with sodium azide in tetrahydrofuran

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