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 need for an intellectual understanding of the context from many aspects' dictates understanding the ways through which the graphic designer walks in simulating the intent of the design process and elevating it to levels of communicative perception that leads to communicating the idea to the recipient, and it is thus a need closely related to the context, if it is historical. Culturally or socially, and between the mechanisms of selecting and operating the elements and units of the graphic and design achievement. On this basis, the role of context in graphic design can be studied.
The research included four chapters, the first chapter of the research problem and the need for it, and the aim of the research was (discovering the
... Show MoreNanotechnology is a modern and developed technology, which have great importance in many fields of medicine (diagnosis and treatment). Also, it used to prevent and solve many problems related to animal production and health. The Nanosystems are including metallic nanoparticles, liposomes, polymeric Nanospheres, polymeric micelles, carbon nanotubes, functionalized fullerenes, polymer-coated Nanocrystals, dendrimers and Nanoshells. Our review showed a details classification of nanoparticles and their uses. Nanoparticles have several features depended on the size, colossal surface. The development of antibiotics nanoparticle is very important and has an excellent impact in treating bacterial infections wherever the antibiotics nanopar
... Show MoreIn the last few years, following the relative stability of the political, economic, and security environments, Iraq has embarked on a transformation towards an ambitious program of automation across various sectors. However, this automation program faces numerous challenges, including significant investments in technology and training, addressing social impacts, and combating widespread illiteracy
This study is based on the basic idea: that human communication does not stop at the limits of words spoken, but extends to include the movements of the body and its members, such as the face, hand, eye, hearing, touch, taste, sensation and the public body.
The human movements represented by polarization, frowns, tattoos, and movements are all auxiliary tools that reach meanings and affect others greatly.
Perhaps their importance is also in their ability to translate what is going on in the soul, and to show it to the outside body members, without the control of the human in many cases, it is thus an important factor in the process of human communication.
The purpose of this study is to show the senses of the senses in the
This research is based on the study of a group of Quranic verses that share a certain part, and these verses are verses of righteousness, and the word righteousness has been mentioned in the Holy Qur’an eight times, and the number of verses in this word was six verses, in four walls, all of which are from the civil fence which is the cow and was There are five words of righteousness contained in them, and the family of Imran is one word, and the table is one word, and the argument is one word. This study adopts the method of analytical interpretation of the Quranic text is a term that means statement and clarification in a way that the researcher produces to divide a Quranic text into its elements that are involved in its formation and
... Show MoreJurists were unable to comprehend modern terminology and concepts to provide mature answers
On the questions and issues of the age, and what I want to research and raise it; an important and urgent subject, to crystallize the opinion jurisprudence
Islamic, which is the subject of citizenship. The globalization of the concept of citizenship, and the spread of special cultural differences,
The blurring of the identities and specificities of nations due to conflict, or political differences, often results in responses
This trend is inversely rooted and rooted, and as a result, the threat to one's religion or predecessors becomes threatened by one's culture,
Thus destroying the essence of his identity. Man has the highest rank
Biomimicry, as a way of thinking to go back to nature for inspiration, has its impact on many contemporary technological achievements. Some of them are used to design and construct kinetic facades in architecture, because of the importance role of facades in reducing sun radiation, that enter the building through using shading systems and components. In light of this, research problem is determined: "Do technologies which are inspired by biomimicry effect shading in kinetic facades through its characteristics in materials and the mechanics. So the research identifies its goal as: "To identify the types of kinetic facades in buildings and their characteristics as materials and shading mechanism associated with the b
... Show MoreA survey of fish species in the Iraqi marine waters was carried out for the period from November 2014 to March 2018. The list included 214 species representing 75 families.
The family Carangidae dominated the marine fishes in Iraq, which was represented by 24 species, followed by Haemulidae with 11 species, and then Serranidae and Sparidae with nine species for each, while 34 families contained a single species only.
Acute toxicity is a step to evaluate the toxicity of a substance. Rutin is one of the flavonoid compounds with a variety of pharmacological effects. The aim of the study is to calculate the lethal dose that affect fifty percent of the mice used in the experiment (LD50). Thirty Swiss albino male and 30 non-pregnant female mice have been divided equally and randomly into 5 treated groups and one control group (n=5) Rutin has been administered with concentrations 5, 2.5.1.25,0.625 and 0.312 g/kg administered as a single dose intraperitoneally (IP) while the control group received 1% DMSO (IP). Animals were observed for any morbidity and mortality for 14 days. After 14 days the animal blood collected for biochemical and hem
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