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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
Sun Jan 01 2023
Journal Name
Journal Of Population Therapeutics And Clinical Pharmacology
Evaluation of the Expression of RCC and KIM-1 Biomarkers in Nephrotoxicity of Rabbits Treated with Ochratoxins A
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Publication Date
Sat Aug 01 2020
Journal Name
Iop Conference Series: Earth And Environmental Science
Response of Celery to addition of nitrogen and spray with salicylic acid in the leaves content of nutrients
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Abstract<p>To study the response of the celery plant to nitrogen fertilization and spray with salicylic acid in the leaves content of nutrients, the research was conducted in one of the fields of the Department of Horticulture and Gardening Engineering / College of Agriculture / University of Baghdad within the 2019-2018 season. The research was carried out as a global experiment and with the design of complete randomized sectors (RCBD) and with three replicates, the first factor included the addition of nitrogen with three levels and its symbol (N) (N1 control), (N2) g / m<sup>2</sup> 18 ), (N3) 37 g / m<sup>2</sup> and the second factor spraying acid salicylic is denoted by</p> ... Show More
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Publication Date
Mon Mar 25 2019
Journal Name
Al-academy
Characteristics of Melody Structure of the Cello and Contrabass in Works of Iraqi Symphony Orchestra: تقى سعد جعفر
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The idea of this research is based on presenting a study specialized with the rules and bases of the Iraqi methodological music composition of the Symphony Orchestra according to the construction of the musical compositions of great forms and which are characterized by the melody difference and variation within their musical fabric according to the method of distributing the instruments and their types within the orchestra. The researcher has been interested in studying this building based on what is written for him according to the stringed instruments arc instruments and bass, which is represented by the cello and the contrabass. It is possible through the analysis of the melody structure features of these instruments and the melody re

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Publication Date
Wed May 17 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Effect of Borax as Source of Boron in the Characteristics of Grape (Visit vinifera L) Cultivar Blank monika.
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A study was carried out in the vineyard at Al- sowayra in the Waset Province to study the effect of boron spray on cluster and fruits traits characteristics of grape cultivar . Borax used  was as a source of boron at the concentrations (0.0 , 0.1, 0.2, 0.3, 0.4 and 0.5 ) g / l . Water plus Wetting agent   (0.05 g/l detergent) was sprayed to induce faom and reduce water surface tension. The spray was implemented twice, first was one week before blooming and the second was after fruit set. Results showed that spray treatment by boron increased. weight and volume of berries and increased cluster's weight bunch length and diameter besides the increased number of Fruits in bunch also Total Soluble Solids (Tss%) was increased wh

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Publication Date
Tue Jan 01 2019
Journal Name
Indian Journal Of Ecology
Effectiveness of oxidation enzymes in the ratio of gluten to wheat bread via different treatments of weeds control
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Scopus
Publication Date
Wed Feb 20 2019
Journal Name
Political Sciences Journal
Assessing the Impact of reformation in wise Administration of Ruling and constant development : A study of Arab Political
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The research has been talked on specific an important notions concerning with the dimensions of effectiveness of good governance and sustainable development inside all Arab states, So that the scientific article reflected the role of investments in various sections of institutional business by draw attention toward different projects about analyzing the whole political reality according to the standard indications of political and social stability on the regional level and international aspects. Therefore, the study resembled scientific contains and the dimensions of political reform and administrative overhauling within governmental system in order to achieve all raw objectives for sustainable development. All international and

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Publication Date
Wed Dec 25 2024
Journal Name
Journal Of Baghdad College Of Dentistry
Evaluation of the Level of Melatonin, Cortisol and IgA in Saliva of Patients with Oral Lichen Planus Lesions
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Back ground: Oral lichen planus is a chronic inflammatory disease that affects the mucous membrane of the mouth. Several researchers suggest that oxidative stress is implicated in the pathogenesis of this disorder. It has been hypothesized that melatonin is powerful anti-oxidants and can easily cross the cell membrane and is considered a free radical scavenger of Hydroxid, Oxygen and Nitrogen dioxide, cortisol as a stress hormone and the immunoglobulin A as first line of defense and protection to the mucous membrane of the mouth are interrelated factors for the emergence of oral lichen planus. Aim of this study was to evaluate the level of melatonin, Cortisol and IgA in saliva of patients with oral lichen planus lesions in comparison with p

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Publication Date
Sun Oct 02 2011
Journal Name
Journal Of Educational And Psychological Researches
Levels of Geometrical Thinking of The Students of Mathematic Department in Basic Education College at AL- Mustansiriyah University
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This  research aimes to expose the levels of geometrical thinking among the students of mathematic department in Basic Education College at AL-Mustansiriyah University throughout their respondes on the test of  geometrical thinking which consists (50) multi- choice items  distributed on the first four levels of Van Hiele ( recognition – analysis – ordering – deduction ).

The validity and the reliability of the test have been investigated. Besides, the difficulty and its discrimination have been measured. The activity of the wrong variables has been measured.

The test has been applied on (180) male and female students of the first, second and third grades.

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Publication Date
Wed Apr 01 2015
Journal Name
Al–bahith Al–a'alami
The Educational Role of Children's Programs in Libyan TV An Analytical -Field Study of "Flowers of Life" Program
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Television contributes children the acquisition of knowledge, moral and social values through programs that are offered to them and the extent of the focus on the effective aspects of life in the age of the target stage. The subject of this research aims to know the children programs in Libya television through a comprehensive analytical study of the program entitled “zihur al-hayat” within the broadcast season from April 1, 2004 to June 30, 2004. It also focuses on trying to identify the Libyan television policy in broadcast educational content through the children's programs in the prevailing political and social conditions during the period of study as well as knowing the opinions of the children's sample under study in Al-Baidhaa

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Publication Date
Sat Jun 01 2019
Journal Name
Journal Of Economics And Administrative Sciences
Diagnosis of factors affecting the strategic implementation of sewage projects ( Case study in General Directorate of sewage projects )
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  This  Research aim to identify the factors affecting the strategic implementation of sewage projects and to seek to activate the real follow-up of projects to identify the factors that accompany their implementation, The study included a sample of the projects of the investment plan implemented for the Directorate General of sewage in the governorates of Iraq, which was completed during the six years period (2010-2016). The sample of the research was four projects: The project of implementation and processing of the treatment plant and the lifting station and the conveyor line for the project of IMARA/The third stage/Al-Sanaf marshland , The project of the processing and implementation of the treatment plant with the

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