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 expressive speech in the art of acting is considered to be the leading action for thinking and the interior interaction of the individual, in the organization of his relationship with the elements of the environment and its content, and the more acquired the individual's performance today skills in organizing and export of his conflicts and natural occasions , whenever , becomes more adaptable and an interpreted physically and acoustically inside pluralities in personalities, suited to the modern age. This research has addressed a range of topics related to expressive speech in the art of acting, since the first chapter included a systematic framework of the research, represented by the problem , the importance and aims of research t
... Show MoreIn order to get an idea about things closely, we should look at the role of social discipline
in the building of society from civilization cultural viewpoint. The real weigh of the societal
opinion is not measured by the number of its population or its area but the real value lies in its
civilization cultural accumulative experience inherited by the generations, which determine its
distinguished character. That is based upon the social construction in which the methods of
socialization and political, economic, cultural and religious stability and enhance the national
and ethical character of self-realization.
In this research, we try to give an analysis for the obstacles in political economic and
religious social
In this research, the researcher sheds light on the greatness of the horrors (Al-Hashr) enlightened by the Holy Quran, explaining his dangerous details, his horrors, and his frightening changes. -35-36-37
Perhaps the most prominent motivations for the research and its justification is to remind people of the days of God Almighty, and the mention of the insect always pushes the believer to do honorable, and avoid sins, over the days, and prepare for the time of the resurrection, in the hands of knowing a scientist.
In order to identify the subject of entomology and its contents, the researcher based his study on the scientific methodology, it has excavated the origin of the entomology and its
Logic is understood so far as a product perspective, either formal or informal. The topic is still, though interesting, imprecise, sketchy and problematic. Besides, the relevance of logic to linguistics has not been explained. This research focuses on dealing with logic as a product and a process. It introduces how logic is relevant to understanding language. Logic is surely not irrelevant to real human language. In this research, we coin 'logical pragmatics' to refer to "the structure of an argumentation and its parts used by the speaker for the purpose of persuasion to have an effect in the addressee and passive audience”. As such, the research mainly aims at providing a definition of "logical pragmatics" as well as developing an ide
... Show MoreIslamic periodicals are defined as: publications issued periodically, and containing articles, research, or studies that convey Islamic thought and culture. Islamic periodicals have a prominent place among other types of sources of documentary and non-documentary Islamic information, because they are characterized by the speed of their issuance and the modernity and diversity of their Islamic information. This study aims to explain the reality of Islamic periodicals published in Iraq, graphically analyze their bibliographic characteristics and emphasize the importance of their issuance, as well as give a historical overview of the issuance and publication of Islamic periodicals in the Arab world and the world, while presenting examples of I
... Show MoreThat interdependence in Islam is cooperation, love and fraternity and give and take
and let him look rich to the poor, every Muslim is himself liable hungry and poor no matter
how many races and colors. That interdependence is cruel, spending for God and is the
greatest supporter of charities that deal with housing, food and medicine for the unemployed
and needy, and social solidarity the consolidation of the values of brotherhood and love,
where is the greatest support of corrupt and concerted community and causes prosperity in
societies and has a significant impact on the unity of Muslims and their club and their
collection. The Islamic regime tops major systems in entrusting the achievement claimed the
lives of
This research aims to study the performance of comedian in the plays of writer Moliere . The problem of research is to answer the following question: How does comedian Moliere's techniques in a number of his plays and funny acts? The research aims at revealing the means used by the comedian in his performance of a comedic character in the number of Moliere plays.
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... Show MoreThe language of theatre is made by a number of physical tools and moral elements. So as the actors, costumes, lightings and accessories represent the physical aspects of the show, they also represent its moral aspect too. When they transform from plastic words in the space of the visual show to become signs carrying its indications that give the meaning through the link, overlap and arrangement of its movements so as to finally look like as wording in a sentence carries the meaning and represent the language of theatre speech.
The show usually sends the recipient continuous signs that go beyond the limits of expressions that are conveyed by these tools, and that cover the largest part of the meaning. So what is kept hidden or unannoun
The historical center cities were exposed to change, which included its social and economical structures, Which led to sweeping changes in land use, causing a change in the result, in urban fabric and the physical structure and therefore to see visual. We have attracted these centers as a result of pressure from urban development and contemporary reflection of the agents of change which have been hit during the late period a development residential newly not sympathize mostly with the content of the historical and at the expense of removing large parts of the urban fabric and replace it with patterns of structural and styles of architecture has not been connected with reality. Which led to the loss of some historical and architec
... Show MoreThe population density witnessed by the capital, Baghdad, due to successive wars and unemployment, is linked to the phenomenon of urbanization, which is a global phenomenon that means the increasing tendency of the rural population to reside in cities (urban), especially concentration in the capital, Baghdad. Therefore, the phenomenon of urbanization is associated with 3 terms: migration, countryside, and city. Migration is when a person or a group leaves their place of residence to move to live in another place with the intention of staying in the new place for a long time. As for the countryside: they are the areas surrounding cities usually, and the countryside is characterized by natural and agricultural areas and is considered an outle
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