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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
Mon Nov 08 2021
Journal Name
Caspian Journal Of Environmental Sciences 20 (1),
Evaluate the effect of alcoholic extraction of walnut on gonadal hormones of treated rats
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Publication Date
Sat Mar 30 2002
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Effects of Drying Conditions on the Properties of Dried Particles of Powdered steep Liquor
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Publication Date
Sun Sep 02 2012
Journal Name
Baghdad Science Journal
The Effect of different concentration of growth regulater on micropropagtion of Lisianthus (Eustoma grandiflora)
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Plant tissue culture techniques were exploited for the micropropigation of Lisianthus (Eustoma grandiflora). Different concentrations of Benzyl adenine (BA), 6- Furfural amino purine (Kinetin), Indol butyric acid (IBA), were investigated in their effects at different micropropagation stages. Three explants (apical shoots, internodes, leaf discs) were used in this study. The effect of the interaction between BA and IBA on shoot multiplication was investigated in increasing the number of shoots on explants. Rooting was also studied after inclusion of IBA and NAA to Murashige and Skoog, 1962 culture medium (MS). During acclimatization stage, different ratios of river sand and peat moss as agricultural media were tested and plantlets survival w

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Publication Date
Thu Jun 30 2022
Journal Name
Journal Of Economics And Administrative Sciences
The Use of the Regression Tree and the Support Vector Machine in the Classification of the Iraqi Stock Exchange for the Period 2019-2020
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 The financial markets are one of the sectors whose data is characterized by continuous movement in most of the times and it is constantly changing, so it is difficult to predict its trends , and this leads to the need of methods , means and techniques for making decisions, and that pushes investors and analysts in the financial markets to use various and different methods in order to reach at predicting the movement of the direction of the financial markets. In order to reach the goal of making decisions in different investments, where the algorithm of the support vector machine and the CART regression tree algorithm are used to classify the stock data in order to determine

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Publication Date
Wed Mar 29 2017
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Association between Gallstones and Diabetics Type 2 Iraqi Patients
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Gallstone disease is one of the most common complications among diabetic patients especially type 2 DM. Till now, there is no specific and certain factor that explain the incidence of gallstones among type 2 diabetic patients and many risk factors are taken collectively to estimate its intensity and severity compared to non diabetic counter parts. This clinical study was designed to evaluate and report the incidence and severity of gallstones among type 2 diabetics and non diabetics regarding certain factors. 20 diabetic females and 20 diabetic males were collected as patients′ group and have had gallstones while 20 females and 20 males who have had gallstones without diabetes mellitus type 2 were collected as controls′ group

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Publication Date
Fri Nov 18 2005
Journal Name
Acta Crystallographica Section E
Bis(μ3-4-bromo­phenyl­imido)tris­(tricarbonyl­ruthenium)(2 Ru—Ru)
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The title compound, [Ru3(μ3-NC6H4Br)2(CO)9], is a V-shaped triruthenium cluster, each side of the V being face-capped by a 4-bromo­phenyl­imide ligand. Each Ru atom is also ligated by three terminal carbonyl ligands. There are two molecules in the asymmetric unit with minor conformational differences.

Publication Date
Mon Sep 16 2019
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Pseudo Primary-2-Absorbing Submodules and Some Related Concepts
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      Let  be a commutative ring with identity. The aim of this paper is introduce the notion of a pseudo primary-2-absorbing submodule as generalization of 2-absorbing submodule and a pseudo-2-absorbing submodules. A proper submodule  of an -module  is called pseudo primary-2-absorbing if whenever , for , , implies that either                  or  or . Many basic properties, examples and characterizations of these concepts are given. Furthermore, characterizations of pseudo primary-2-absorbing submodules in some classes of modules are introduced. Moreover, the behavior of a pseudo primary-2-absorbing submodul

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Publication Date
Mon May 20 2019
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Pseudo Quasi-2-Absorbing Submodules and Some Related Concepts
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Let R be a ring and let A be a unitary left R-module. A proper submodule H of an R-module A is called 2-absorbing , if rsa∈H, where r,s∈R,a∈A, implies that either ra∈H or sa∈H or rs∈[H:A], and a proper submodule H of an R-module A is called quasi-prime , if rsa∈H, where r,s∈R,a∈A, implies that either ra∈H or sa∈H. This led us to introduce the concept pseudo quasi-2-absorbing submodule, as a generalization of both concepts above, where a proper submodule H of an R-module A is called a pseudo quasi-2-absorbing submodule of A, if whenever rsta∈H,where r,s,t∈R,a∈A, implies that either rsa∈H+soc(A) or sta∈H+soc(A) or rta∈H+soc(A), where soc(A) is socal of an

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Publication Date
Wed Jan 20 2021
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Nearly Primary-2-Absorbing Submodules and other Related Concepts
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Our aim in this paper is to introduce the notation of nearly primary-2-absorbing submodule as generalization of 2-absorbing submodule where a proper submodule  of an -module  is called nearly primary-2-absorbing submodule if whenever , for , , ,  implies that either  or  or . We got many basic, properties, examples and characterizations of this concept. Furthermore, characterizations of nearly primary-2-absorbing submodules in some classes of modules were inserted. Moreover, the behavior of nearly primary-2-absorbing submodule under -epimorphism was studied.

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Publication Date
Wed Feb 01 2023
Journal Name
Baghdad Science Journal
Efficient Approach for Solving (2+1) D- Differential Equations
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     In this article, a new efficient approach is presented to solve a type of partial differential equations, such (2+1)-dimensional differential equations non-linear, and nonhomogeneous. The procedure of the new approach is suggested to solve important types of differential equations and get accurate analytic solutions i.e., exact solutions. The effectiveness of the suggested approach based on its properties compared with other approaches has been used to solve this type of differential equations such as the Adomain decomposition method, homotopy perturbation method, homotopy analysis method, and variation iteration method. The advantage of the present method has been illustrated by some examples.

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