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Influence of the variation in the Hubbard parameter (<i>U</i>) on activation energies of CeO<sub>2</sub>-catalysed reactions
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Accurate description of thermodynamic, structural, and electronic properties for bulk and surfaces of ceria (CeO2) necessitates the inclusion of the Hubbard parameter (U) in the density functional theory (DFT) calculations to precisely account for the strongly correlated 4f electrons. Such treatment is a daunting task when attempting to draw a potential energy surface for CeO2-catalyzed reaction. This is due to the inconsistent change in thermo-kinetics parameters of the reaction in reference to the variation in the U values. As an illustrative example, we investigate herein the discrepancy in activation and reaction energies for steps underlying the partial and full hydrogenation of acetylene over the CeO2(111) surface. Overall, we find that both activation and reaction energies positively correlate with the increase in the U value. In addition to benchmarking against more accurate theoretical methodologies, we suggest that U values are better optimized against kinetics modelling of experimentally observed profiles of products from the catalytic-assisted system of reactions.

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Publication Date
Thu Jun 01 2023
Journal Name
Iraqi Journal Of Physics
Effect of Organic / Inorganic Gate Materials on the Organic Field-Effect Transistors Performance
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The choice of gate dielectric materials is fundamental for organic field effect transistors (OFET), integrated circuits, and several electronic applications. The operation of the OFET depends on two essential parameters: the insulation between the semiconductor layer and the gate electrode and the capacitance of the insulator. In this work, the electrical behavior of a pentacene-based OFET with a top contact / bottom gate was studied. Organic polyvinyl alcohol (PVA) and inorganic hafnium oxide (HfO2) were chosen as gate dielectric materials to lower the operation voltage to achieve the next generation of electronic applications. In this study, the performance of the OFET was studied using monolayer and bilayer gate insulators.

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Publication Date
Thu Sep 04 2014
Journal Name
Journal Of Al-nahrain University
Effect of Some Insecticides on the Egg Parasitoid, Trichogramma evanescens Westwood(Hymenoptera: Trichogrammatidae)
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Publication Date
Mon Feb 01 2021
Journal Name
Iop Conference Series: Materials Science And Engineering
Experimental Study on the Behaviours of Post-tensioned Concrete Members with Unbonded Tendons
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Abstract<p>This paper presents experimental results regarding the behaviours of eight simply supported partially prestressed concrete beams with internally unbonded tendons, focusing particularly on the effect of three different variables: concrete compressive strength, <italic>f<sub>c</sub> </italic>′; jacking stress, <italic>f<sub>j</sub> </italic>; and the prestressing index, ω. Increasing the concrete compressive strength from 35 MPa to 60 MPa was seen to lead to an increase in load-carrying capacity by about 10%. The load capacity was also affected, though to a lesser extent, by the jacking stress. The failure lo</p> ... Show More
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Publication Date
Mon Jul 31 2023
Journal Name
Pakistan Heart Journal
The Effects of Planned Program on Nurses' Practices for Intramuscular Injection Among Pediatric
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Publication Date
Sun Apr 03 2016
Journal Name
Journal Of Educational And Psychological Researches
The use of social networking sites (facebook) and its impact on social relations
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      Is the subject of Facebook of more topics that aroused interest and that it provides the features and services that allows users to direct communication and interaction and dialogue with others, and deals with the subject of research the use of Facebook and its effects left by the social relations, as the field study was conducted on a sample of 130 students from students Baghdad University of males and females in the Faculty of Political Science and Agriculture, Science and Education, Girls, and limited the sample to Facebook users exclusively to test the study hypotheses and relationships connectivity, and the results revealed the presence of a significant impact of Facebook in th

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Publication Date
Sun Jul 30 2023
Journal Name
American Journal Of Environmental Economics
Impact of Brand Capital on the Stock Price Crash Risk, an Empirical Study
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The factors influencing the financial market are rapidly becoming more complex. The impact of non-financial factors on the performance of a company’s common stock can increase in ways that were not previously expected. This study investigated how brand capital affects the risk of stock prices in Iraqi private banks listed on the Iraq Stock Exchange failing by identifying the likelihood of a crash caused by a negative deviation in the distribution of returns on ordinary shares. As a result, the current study’s concept is to review an analytical knowledge framework of the nature of that relationship, its changes, and its impact on the pricing of ordinary shares of the banks of the researched sector for the years 2009 to 2017, as w

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Publication Date
Sun Jan 01 2023
Journal Name
Revista Iberoamericana De Psicología Del Ejercicio Y El Deporte
THE IMPACT OF COVID-19 ON FOOTBALL CLUB STOCK INTEGRATION AND PORTFOLIO DIVERSIFICATION
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Scopus
Publication Date
Mon Jan 01 2018
Journal Name
Iraq J Embryos Infert Res
The effects of progesterone on mice offspring testis development and anogenital distance postnatally
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Background: Analysis of human reports and comparison with results of experimental animals indicate that the effects of progesterone on human not analogous to experimental animals fetus, many studies showed that exposure to progesterone during developing of genital tract of human fetus was not teratogenic. Other studies which performed on laboratory animals found association between progesterone administration during gestation and genital malformation. Objectives: to explore the effect of progesterone in 10.2 mg/kg intraperitoneal injection in mice on testis development and anogenital distance. Materials and Methods: ten pregnant mice divided into five mouse control group that injected10. 2mg/kg sesame oil and treated group that injected pro

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Publication Date
Sun Sep 01 2013
Journal Name
Baghdad Science Journal
Adsorption of Hydrogen Sulphide on the Zeolite type A Synthezied from Iraqi Kaoline
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Three types of zeolite A were prepared from Iraqi kaoline which are 3A, 4A and 5A by ion exchange method .They were characterized by XRD and atomic absorption techniques .They were used as adsorbents to examine their applicability for H2S adsorption .The adsorption process was performed in a static form and constant volume system which constructed from stainless steel .The effect of zeolite type and temperature on the adsorption properties of H2S at -5 , 25 and 55 oC was studied .The zeolite type 5A has the highest adsorption value (79.384 µmol/g ) and the three types may be arranged in a sequence toward H2S adsorption as 5 A> 4A>3A .The amount of H2S adsorbed increased as temperature decreased from 55 to -5 for all samples. Langmuir , Fre

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Publication Date
Sun Mar 01 2009
Journal Name
Csasc English Ver., 4th Scientific Conference; College Of Science; Babylon University
Effect of NaCl on the cresyl violet( CV) –sodium dodecyl sulphate (SDS) complex
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Abstract: In this research we study the of added NaCl with concentration (0.2, 0.02)M on the spectral of cationically charged dye (cresyl violet) and anionically charged surfactant (sodium dodecyl sulphate) with different concentration, the result show two peaks appearance the first attributed to micelle and the other formation of dye surfactant complex, in addition to the increase in the quantum efficiency of emission spectrum and shifted toward long wavelength (λmax=692.5nm-626nm).

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