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دراسة كوانتية للخصائص البنيوية والإلكترونية والطيفية لعناقيد الذهب الصغيرة

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 Publication date 2017
  fields Chemistry
and research's language is العربية
 Created by Shamra Editor




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References used
Frisch M. J, et al : GAUSSIAN 09, Revision A.02, Gaussian INc, WallingfordCT, (2009)
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CdTe Thin films were deposited on glass substrates by thermal evaporation method. The geometric thickness was calculated using interferometric method based on reflectance curve recorded with the spectrophotometer. The XRD analysis and optical char acterizations of CdTe films with different optical thicknesses reveals that the structure of the films is polycrystalline with preferential orientation (111). The structure constant (a), crystallite size (D), dislocation density (δ) and strain (ε) were calculated, and it is observed that the crystallite size increases but micro-strain and dislocation density decreases with increases in thin film thickness. The overall absorbance has been increased with the film thickness and the direct band gap was obtained. It decreases with the increase in the thickness of the films.
In this research, we studied the quantum effect of the electronic density change effect of some sodium( Nan) clusters properties, electronic and spectral properties changes.We have been studied using density functional theory: (DFT/B3LYP(6-311+G(2d))). Density Functional Theory (DFT) is a computational method that derives properties of The sodium clusters (neutral and positively) based on a determination of the electron density of the clusters.
دراسات كوانتية لخصائص الانتقالات النووية : قمنا في هذا البحث بتحديد متعددات أقطاب أشعة غاما المرافقة لتفاعل نيوترونات حرارية مع النوى
We consider the problem of using observational data to estimate the causal effects of linguistic properties. For example, does writing a complaint politely lead to a faster response time? How much will a positive product review increase sales? This p aper addresses two technical challenges related to the problem before developing a practical method. First, we formalize the causal quantity of interest as the effect of a writer's intent, and establish the assumptions necessary to identify this from observational data. Second, in practice, we only have access to noisy proxies for the linguistic properties of interest---e.g., predictions from classifiers and lexicons. We propose an estimator for this setting and prove that its bias is bounded when we perform an adjustment for the text. Based on these results, we introduce TextCause, an algorithm for estimating causal effects of linguistic properties. The method leverages (1) distant supervision to improve the quality of noisy proxies, and (2) a pre-trained language model (BERT) to adjust for the text. We show that the proposed method outperforms related approaches when estimating the effect of Amazon review sentiment on semi-simulated sales figures. Finally, we present an applied case study investigating the effects of complaint politeness on bureaucratic response times.
لما كان أساس المودول يعرف من خلال المودولات الجزئية الصغيرة فقد نالت هذه المودولات أهمية لا بأس بها وذلك بعد أن نشرت إريك مارس بحثها المودولات نصف التامة عام 1963م
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