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.
The History of Multi Parties and its Effect on Political System in India
An experiment was carried out to study the effects of Time Factor, potassium and Molybdenum on Rhizobium growth. The objective of the experiment, which conducted under laboratory conditions, was to investigate the interaction effects of using three levels of Molybdenum (0, 0.25, 2.50 mg Mo . Kg-1 sterile soil) and four levels of potassium (0, 25, 50, 100 mg K . Kg-1 sterile soil) on the viable counts of Rhizobium growth in the sterile soil after 3, 9, 15 and 21 days of incubation at 28°C. The results indicated that Molybdenum level 2.50 mg Mo . Kg-1 sterile soil and potassium level 50 mg K . Kg-1 sterile soil recorded the biggest significant increase in the viable counts of Rhizobium growth in the sterile soil especially after 15 da
... Show MoreObjective: Dental caries is a chronic infectious disease that is prevalent worldwide in all age groups. Numerous attempts have been made to develop conservative approaches to halt caries progression and restore enamel defects. This study aimed to investigate the effect of applying grape seed extract and chicken eggshell extract on the microhardness of demineralized enamel in permanent teeth. Methods: Forty-eight sound upper first premolars were used. Following demineralization with the demineralizing solution for 96 hours, they were distributed into four groups consistent with the treatment agent used: group A was treated with casein phosphopeptide amorphous calcium phosphate (as a control group), group B was treated with grape se
... Show MoreThis study was aimed to investigate the protective effect of vitamin D on L-arginine induced acute pancreatitis in rats. Twenty eight white Albino rats of both sexes were divided into 4 equal groups. Negative control rats (group I) intra-peritoneally injected with normal saline, positive control (group II) rats induced acute pancreatitis with L- arginine, group III rats treated with a single dose of vitamin D, and group IV treated with single dose of vitamin D prior to first dose of L- arginine. Serum amylase, lipase and cytokines such as tumour necrosis factor –alpha (TNF-α), interleukin-1 beta (IL1β); in addition, my eloperoxidase (MPO) enzyme activity in the pancreas were measured. In acute pancreatitis group (group II), there was a
... Show MoreOmega-7 is a monounsaturated fatty acid that has a number of beneficial effects. Cisplatin, an effective antineoplastic agent is commonly used to treat solid tumors. Cisplatin΄s clinical use is limited due to its nephrotoxicity. Nephrotoxicity induced by Cisplatin is thought to be linked with increased formation of reactive oxygen species. The purpose of this study was to evaluate the anti-oxidant effect of omega-7 against cisplatin-induced nephrotoxicity. Thirty male wistar rats were divided randomly into five groups (six rats in each group), group 1 rats received liquid paraffin solution orally for 7 consecutive days, group 2 rats received liquid paraffin solution orally for 7 consecutive days then received single cisplatin intraperitone
... Show MoreSaudi Arabia’s banking sector plays an important role in the country’s development as it is among the leading sectors in the financial sector. Considering, two main Saudi banks (The National Commercial Bank and Saudi American bank), the present study aims to observe the impact of emotional intelligence on employee performance. The components of emotional intelligence affecting employee performance include self-management, relationship management, self-awareness, and social awareness. A quantitative methodology was applied to analyse the survey results of 300 respondents over the period from 2018 to 2019. The results show that there was a significant positive impact of self-management, self-awareness, and relationship manageme
... Show MoreOften requires the investor to know the result of the company's activity contribute to the investor or by wanting to invest in them because profit or loss of the company affect positively or negatively in the price of shares of the company and with the end of the fiscal year delayed companies often to issue its financial statements after it is approved and audited by an observer External Auditor, From here came the idea of research that appears to stakeholders of financial statements proactive appear, including actual figures for earlier stages have been prepared lists about lists and planned by the administration reflect the results of its phase remainder of the year as if they are (half a year or season or month) to offer At the
... Show MoreThe current study aims to develop a proposed educational program based on augmented reality (AR) technology, in addition to assessing its effectiveness in developing research and historical imagination skills of the Humanities Track's female students at the secondary stage, as well as assessing the correlative and predictive relationships between the amount of growth for the two dependent variables. To achieve this, a secondary school in the city of Makkah Al-Mukarramah was chosen, and an available random sample of (30) female students from the study population was selected. The quasi-experimental approach was followed by this study, particularly one group design. In addition, two tools were used to collect study data, namely: a test of
... Show MoreIncreased interest in the subject of the image because of its great and growing link to the life of the individual and society and its impact on the overall political, economic and cultural conditions. This interest is no longer confined to the images of people or institutions, but has become beyond that to the images of countries and peoples and the impact on bilateral relations between them,
However, we find that the image of the Iraqi abroad remained vague and has not been scientifically recognized and the most that we can generalize are the features of the image of Arabs and Muslims abroad; and assume that the image of the Iraqi applies to them as the Iraqi is in the end an Arab or Muslim.
Based on this, the research
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