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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 Apr 24 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Study the Effects of Vitamin D as Immune-Modulatory Agent in Type II Diabetes Mellitus Patients
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  This study was designed to show the roles of vitamin D as immune-modulatory agent in serum type II Diabetes Mellitus Patients collected from type II Diabetes Mellitus and controls. They have been classified into two groups as the following: 1) Patients of type II DM group includes (20) individuals from both sexes with age range (35–65) years. 2) Control group: includes (20) healthy individuals from both sexes, with age range (30 – 45) years and no previous disease which may interfere with the parameters analyzed in this research. All the blood samples were analyzed for vitamin D3, albumin, C- reactive protein (CRP), erythrocyte sedimentation rate (ESR), immunoglobulins (IgG, IgM, IgA),  α1- antitrypsin and to

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Publication Date
Fri Apr 12 2019
Journal Name
Journal Of Economics And Administrative Sciences
((Requirements for raising the efficiency and development of rail transport in Iraq according to proposed scenarios))
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Abstract:

 The research concerned the study of the railway transport sector in selected countries that sought to raise the efficiency of the railway network and develop it, after realizing the importance of this vital sector, which is a link between it and the rest of the other economic sectors.

The research sought to explain the methods, methods and procedures adopted by these countries for the development of the railway sector, and to benefit from these experiments to improve the efficiency of the railway transport sector in Iraq.

The railway transport sector in Iraq suffers from the erosion of railway lines and mobile units such as locomotives, pas

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Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
Develop Bactra system to determine Mutagens in the Environment, Food / IV modified Mutagens use of hydroxylamine
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Use Almtafr axis to study the response component that isolates gave a positive response to the use of standard Almtafr which leads to lower the temperature and the number of cells at a temperature suitable Rifampicin resistant less than that TJ and similarly reflected on the frequency of mutations induced

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Publication Date
Wed Dec 01 2021
Journal Name
Journal Of Economics And Administrative Sciences
The Role of Liquidity Indicators to Assess its Risks and Enhance Capital Adequacy in Banking Activity
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This purpose of the research is to test liquidity ratios to assess bank liquidity risks represented by liquidity ratios (current assets / current liabilities, current assets / total deposits, current assets / total assets, cash credit / total deposits, liquidity coverage ratio LCR, net stable financing ratio NSFR). This research involves evaluating these risks in banks via these ratios, and reveal the most important means used to solve these risks, including the capital adequacy ratio under the Basel II decisions and for selected period (2017-2019).The research reached the most important conclusion, which is the bank sample did not fall into bank liquidity risks throughout the years of research. Tracking specific ratio with adequ

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Publication Date
Mon Mar 08 2021
Journal Name
Baghdad Science Journal
The analytical potentiality of three different liquid stationary phases in analysing rathylchlorosilanes by gas - liquid ehromatography
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Organohalosilanes conslitute an important subject ١٦؛ the chemistry oforganosilicon compound؛. Being starting materials and intermediates in the synthesis of a large number of various compounds so it is very important to get such materials in its highest purity ,but the separation of rathylchlorosilanes was still a big^oblem, duet^the great similarity in their physical and chemical properties, making its analysing verydifficult, ^or this reason tteir must be a good method o^e^r^iondealing^ththe^compounds, gas- liquid chromatography proved that it was the best, specially when (m- nitrotoluene) was used as a stationary liquid phase, it gave a complete separation and a good statistical results

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Publication Date
Fri Feb 04 2022
Journal Name
Iraqi Journal Of Science
AHeuristic Strategy for Improving the Performance of Evolutionary Based Complex Detection in Protein-Protein Interaction Networks
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One of the most interested problems that recently attracts many research investigations in Protein-protein interactions (PPI) networks is complex detection problem. Detecting natural divisions in such complex networks is proved to be extremely NP-hard problem wherein, recently, the field of Evolutionary Algorithms (EAs) reveals positive results. The contribution of this work is to introduce a heuristic operator, called protein-complex attraction and repulsion, which is especially tailored for the complex detection problem and to enable the EA to improve its detection ability. The proposed heuristic operator is designed to fine-grain the structure of a complex by dividing it into two more complexes, each being distinguished with a core pr

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Publication Date
Wed Feb 08 2023
Journal Name
Iraqi Journal Of Science
Groundwater Suitability for Agriculture using GIS Techniques in the Lower Part of Lesser Zab River Basin
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Suitability of groundwater for irrigation depends upon many constrains factors, these factors depend upon the dissolved salts during the flow of the recharge of the groundwater beside the aquifer constituents itself, from these factors (EC, SO4-2, Cl-, Na%, and SAR) .The spatial distribution of each constrain factor may show discrepancy from the another, so it is not possible to depend upon one factor. The aim of this work is to present a classification of the groundwater quality for agriculture including all the mentioned five factors, by using Arc GIS which provides tools to serve a purpose to create conceptual model for solving spatial problems. A set of conceptual steps used to build a model for suitability map of groundwater for irr

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Publication Date
Sun Jun 01 2014
Journal Name
Baghdad Science Journal
Study of growth curve and morphological change for Trichomonas vaginalis parasite in the tow culture media
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The objective of this study was shed light for cultivation and maintenance of Trichomonas vaginalis parasite growth after isolated it by vaginal swaps from females suffering vaginitis and abnormal vaginal discharges in these media CPLM and TAB media to detect growth curve, morphological changes and viability of parasite in the two culture media, together with effect of sheep and bovine serum on the growth of it. The results of this studies were showed there was abtaine differences between the two types of media , The maximum growth of parasite was in TAB medium after 72 hours incubation with use of bovine serum, while such growth was maximized after 144 hours incubation with the use of sheep serum. In CPLM medium, a maximum gro

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Publication Date
Tue Oct 30 2018
Journal Name
Journal Of Engineering
Evaluation of the Project Overhead Costs in Iraqi Construction Industry using Fuzzy Analytic Hierarchy Process (FAHP)
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This research investigated the importance and priorities of the project overhead costs in Iraq via a questionnaire using the fuzzy analytic hierarchy process technique (FAHP). Using this technique is very important in the uncertain circumstances as in our country. The researcher reached to frame an equation through the results of the priorities of weights include the percentages of each of the main items of the project overhead costs. The researcher tested this equation by applying it to one of the completed projects and the results showed suitability for the application. The percentages of the (salaries, grants, and incentives) and (fieldwork requirements) in equation represent approximately two-thirds of project overhe

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Publication Date
Wed Dec 12 2018
Journal Name
Iraqi National Journal Of Nursing Specialties
Evaluation of the Elderly's Environmental Practices Concerning Fall prevention at Governmental Elderly Homes in Baghdad City
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Objective :To evaluate elderly's environmental practices concerning fall prevention at governmental elderly care homes in Baghdad city. Methodology: A quazi- Experimental study was carried out in governmental elderly care homes at Baghdad city, during the period 1st, June 2014 to 30th November, 2014 , selected a purposive " Non – probability " sample of (40) elderly men and women aged (60) years old and over who were resident in governmental elderly care homes " Al Ceelakh and Al Sader elderly care homes", the data was collected through the use of constructed questionnaire that consist of (23) items,

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