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.
In this research for each positive integer integer and is accompanied by connecting that number with the number of Bashz Attabq result any two functions midwives to derive a positive integer so that there is a point
The effect ©? acid and alkility for the dichromate solution and the thicknness of gelatin layer on the effecincy of the film , also the time period between the recording and the reconstraction processes . the last effecincy was 90% for PH=5.6 and 95% for d=110 ?? . the highe effeciny for time period was 82% for 48 h .
Optical detector was manufactured Bashaddam thermal evaporation technique at room temperature under pressure rays studied characteristics of reactive Scout efficiency quantitative ratio of the signal and the ability equivalent to noise
In this paper, the oscillation of a Hematopoiesis model in both cases delay and non-delay are discussed. The place and are continuous pstive -rdic functions. In the nn-dlay cse, we will exhibit that a nonlinear differential equation of hematopoiesis model has a global attractor for all different pstive solutions. Also, in the delay case, the sufficient conditions for the oscillation of all pstive solutions of it aboutare presented and we establish sufficient cnditions for the global attractive of. To illustrate the obtained results some examples are given.
Historical concepts are among the concepts that are difficult to present to the pre-school child except by using modern techniques, as well as the difficulty of making visits to all historical monuments and going back to antiquity and the lack of studies in this area, therefore, we need an attractive medium that children love which is able to convey some abstract concepts that are difficult to teach to children using traditional methods, and among these activities that the kindergarten provides to children are the stories through which they develop their linguistic wealth, consolidate their religious and spiritual inclinations, refine their correct morals, and form their proper attitudes, knowledge and life concepts.
The
... Show MoreThe execution phase of the project is most dangerous and the most drain on the resources during project life cycle, therefore, its need to monitor and control by specialists to exceeded obstructions and achieve the project goals. The study aims to detect the actual reasons behind mismanagement of the execution phase. The study begins with theoretical part, where it deals with the concepts of project, project selection, project management, and project processes. Field part consists of three techniques: 1- brainstorming, 2- open interviews with experts and 3- designed questionnaire (with 49 reason. These reasons result from brainstorming and interviewing with experts.), in order to find the real reasons behind misman
... Show MoreA total of 247 specimens of the Mallard were collected from Baghdad city and kut City and 154 specimens the collection was started from October1999
in this paper cquations of the per capita growth rate are considered sufficient conditions for oscillation of all solutions are obtained the asymptotie behavior of the nonoscillatory solution of all souliotions are obtained
Many of the signs that the global energy system indicate the start of a period of transition from total dependence on fossil energy sources, especially oil, into a new era in which alternative energy sources play an important role in meeting the growing needs of energy demand, so sought many of the developed countries through research the studies carried out to try to bring renewable energy sources and non-renewable (shale oil, oil sands, solar energy, wind energy .... etc) replace traditional fossil energy sources (oil, gas, coal) and despite the recent availability dramatically and spread throughout the the world, but they are going to dry up in the foreseeable future. So many countries, especially the developed sought to find
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