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.
Autorías: Amwag Mohammed Ali Qasim, Ghassan Adeeb Abdulhasan. Localización: Revista iberoamericana de psicología del ejercicio y el deporte. Nº. 6, 2021. Artículo de Revista en Dialnet.
Abstract: This research was performed to study the effect of some amino acids and vitamins on the growth of bacteria Staphylococcus aureas and its sensitivity against UV light. The results showed low inhibition in bacterial growth because amino acids repairs the damges caused by UV light. Besides the effect of two groups of antibiotics (β-lactame and tetracycline) on the growth of S. aureus and the possible interference of amino acids and vitamins in the activity of the antibiotics against this bacteria in the presence of UV light were studied. The result show increase in the sensitivity towards these antibiotics and provided protection against the antibiotics.
Will address this research interaction and coordination between fiscal and monetary policies and the impact of this interaction and coordination on economic stability and growth، and how the financial implications of monetary policy may stimulate action monetary policy and treatment side effects and the nature of responsiveness and bounce between procedures both two policies and their impact on the balance of overall economic and explained in the folds of searchjustifications coordination and the extent necessary in order to address the imbalances in economic activity through twinning actions of monetary and fiscal، has embodied this coordination and interaction between policies and their impact m
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The aim of the research is to identify the level of awareness and emotional experience among university students and to identify the effect of the educational program based on (Guttmann) model for developing awareness and emotional experience among university students by verifying the validity of the following zero hypotheses: 1) There are no statistically significant differences in the development of awareness and emotional experience among university students at the level of (0.05) between the mean scores of the experimental group in the pre and post-tests. 2) There are no statistically significant differences in the development of awareness and emotional experience among university students at the lev
... Show MoreThis study was carried out in the bee laboratory in the Faculty of Agriculture –University of Kufa in September 2021 to evaluate some protein sources and hive products against the oriental hornet Vespa orientalis Linnaeus 1771 (Hymenoptera: Vespidae). The food sources included: beef meat, gut fish, beef lung, honeybee, wax, propolis, pollen, bee worker, and water, in addition to control which was an empty petri dish. The number of visits and their duration were calculated. The results showed that the wasps preferred bee honey and wax significantly higher than the rest of the stimuli.
Background: Marginal adaptation is critical for long – term success of crown and bridge restoration. Computer aided design / computer aided manufacture (CAD/ CAM) system is gaining more importance in the fabrication of dental restoration. Objective: The aim of this study is to evaluate the effect of crystallization firing on the vertical marginal gap of IPS. emax CAD crowns which fabricated with two different CAD/CAM systems .Materials and Methods: Twenty IPS e.max CAD crowns were fabricated. We had two major groups (A, B) (10 crowns for each group) according to the CAD/CAM system being used: Group A: fabricated with Imes - Icore CAD/CAM system; Group B: fabricated with In Lab Sirona CAD/CAM system. Each group was subdivided into two s
... Show MoreAl-Naymi, N.A.Sh., H.A.S. AL-Nuaimi and M.R. Nashaat. 2022. Toxicity Stress of the Durah Power Plant Ash and its Effect on the Alga Chlorococcum humicola (Naeg) Rabenhorst 1868. Arab Journal of Plant Protection, 40(2): 188-192. https://doi.org/10.22268/AJPP-040.2.188192 This study illustrates the acute toxic effect of ash released from Durah power plant (DPP) on the biology of the phytoplankton species Chlorococcum humicola in Iraq. The results showed that the median lethal concentration for killing 50% of the Alga population (LC50) was 0.15 and 0.13 ppt (parts per thousand) for 24 and 48 hours exposure to crude ash concentrations, respectively. In contrast, no LC50 value was recorded for 72 and 96 hrs after exposure. The reduction
... Show MoreABSTRACT Porous silicon has been produced in this work by photochemical etching process (PC). The irradiation has been achieved using ordinary light source (150250 W) power and (875 nm) wavelength. The influence of various irradiation times and HF concentration on porosity of PSi material was investigated by depending on gravimetric measurements. The I-V and C-V characteristics for CdS/PSi structure have been investigated in this work too.
The practice by the administration of human resources on effectiveness of organization crisis as two knowledge fields , it were be until now as center for many studies, but the collect it, study of relation between them ,and The role of practices by the administration of human resources on effectiveness of organization crisis administration were considered a new study and first according to the available and showing studies at this field .
The problem of this research was specified by answer for the question that deal for size of consciousness at the ministry of interior for import of&nbs
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