PM3 semiempirical method and Density Functional Theory (DFT) calculations of the type (B3LYP) and a Gaussian basis set (6-311G) were carried out for fullerene C60 molecule with its construction units (5radialene, 1,2,3-trimethylene indan, and corannulene), to evaluate the geometrical structure (bond lengths, symmetry, and energetic such as heat of formation ΔH0f, total energy Etot., dipole moment μ, EHOMO (highest occupied molecular orbital energy), ELUMO (lowest unoccupied molecular orbital energy), energy gap ΔEHOMO-LUMO), the distribution of electron density and vibration frequencies, all at their equilibrium geometries. Assignment of the vibrations modes was done according to the movement of the atoms as a result of DFT calculation using Gaussian program view. Comparison was done for the distribution of electron density with the expense of vibration frequencies and for the relationship of all the physical and electronic properties of fullerene C60 with its construction units.
Learning the vocabulary of a language has great impact on acquiring that language. Many scholars in the field of language learning emphasize the importance of vocabulary as part of the learner's communicative competence, considering it the heart of language. One of the best methods of learning vocabulary is to focus on those words of high frequency. The present article is a corpus based approach to the study of vocabulary whereby the research data are analyzed quantitatively using the software program "AntWordprofiler". This program analyses new input research data in terms of already stored reliable corpora. The aim of this article is to find out whether the vocabularies used in the English textbook for Intermediate Schools in Iraq are con
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One of the primary goals of any study involving groundwater is to make an exact assessment of the physical properties of the layers containing the water. One of the most fruitful ways to approach this goal is to conduct a pumping test for the aquifer. To make the most use of groundwater in terms of sustainable water management, this study attempts to assess its hydraulic features relative to the most significant aquifer represented in the Euphrates formation. A pumping test was carried out on 6 wells where each well is accompanied by an observation well. Cooper-Jacob and Theis Recovery methods were used to determine the aquifer transmissivity and storage coefficient. The ranges for permeability, transmissivity, and specific yiel
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In this paper, a Bayesian analysis is made to estimate the Reliability of two stress-strength model systems. First: the reliability of a one component strengths X under stress Y. Second, reliability of one component strength under three stresses. Where X and Y are independent generalized exponential-Poison random variables with parameters (α,λ,θ) and (β,λ,θ) . The analysis is concerned with and based on doubly type II censored samples using gamma prior under four different loss functions, namely quadratic loss function, weighted loss functions, linear and non-linear exponential loss function. The estimators are compared by mean squared error criteria due to a simulation study. We also find that the mean square error is
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In this work, an efficient energy management (EEM) approach is proposed to merge IoT technology to enhance electric smart meters by working together to satisfy the best result of the electricity customer's consumption. This proposed system is called an integrated Internet of things for electrical smart meter (2IOT-ESM) architecture. The electric smart meter (ESM) is the first and most important technique used to measure the active power, current, and energy consumption for the house’s loads. At the same time, the effectiveness of this work includes equipping ESM with an additional storage capacity that ensures that the measurements are not lost in the event of a failure or sudden outage in WiFi network. Then then these measurement
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