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HOMO-LUMO Energies and Geometrical Structures Effecton Corrosion Inhibition for Organic Compounds Predict by DFT and PM3 Methods
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A theoretical study on corrosion inhibitors was done by quantum calculations includes semi-empirical PM3 and Density Functional Theory (DFT) methods based on B3LYP/6311++G (2d,2P). Benzimidazole derivative (oxo(4- ((phenylcarbamothioyl) carbamoyl)phenyl) ammonio) oxonium (4NBP) and thiourea derivative 2-((4- bromobenzyl)thio) -1H-benzo[d] imidazole (2SB) were used as corrosion inhibitors and an essential quantum chemical parameters correlated with inhibition efficiency, EHOMO (highest occupied molecular orbital energy) and ELUMO (lowest molecular orbital energy). Other parameters are also studied like energy gap [ΔE (HOMO-LUMO)], electron affinity (EA), hardness (Δ), dipole moment (μ), softness (S), ionization potential (IE), absolute electron negativity (χ), and global electrophilicity index (ω) respectively. Mulliken population was also essential to determine a local reactivity by indicating reactive centers and identifyinga potential nucleophilic and electrophilic attacks sites. The adsorption of compounds is also discussedwith the bonds length, the angles, and tetrahedral of molecules. The 2SB best from 4NBP as corrosion inhibitors according to theoretical and experimental proving.Predicated.

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Publication Date
Tue Sep 11 2018
Journal Name
Iraqi Journal Of Physics
Responsivity of porous silicon for blue visible light with high sensitivity
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In this work, porous silicon (PS) are fabricated using electrochemical etching (ECE) process for p-type crystalline silicon (c-Si) wafers of (100) orientation. The structural, morphological and electrical properties of PS synthesized at etching current density of (10, 20, 30) mA/cm2 at constant etching time 10 min are studied. From X-ray diffraction (XRD) measurement, the value of FWHM is in general decreases with increasing current density for p-type porous silicon (p-PS). Atomic force microscope (AFM) showed that for p-PS the average pore diameter decreases at 20 mA. Porous silicon which formed on silicon will be a junction so I-V characteristics have been studied in the dark to calculate ideality factor (n), and saturation current (Is

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Publication Date
Mon Jan 02 2017
Journal Name
Al-academy
Structural elements of composition design for fabrics image Image footage model
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End of the twentieth century witnessed by the technological evolution Convergences between the visual arts aesthetic value and objective representation of the image in the composition of the design of the fabric of new insights and unconventional potential in atypical employment. It is through access to the designs of modern fabrics that address the employment picture footage included several scenes footage from the film, which focuses on research and analytical as a study to demonstrate the elements of the picture and the organization of its rules and how to functioning in the design of fabrics, Thus, it has identified the problem by asking the following: What are the elements of the picture footage and how the functioning of the struct

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Publication Date
Thu May 15 2014
Journal Name
Monthly Notices Of The Royal Astronomical Society
Gravitational lensing in WDM cosmologies: the cross-section for giant arcs
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The nature of the dark sector of the Universe remains one of the outstanding problems in modern cosmology, with the search for new observational probes guiding the development of the next generation of observational facilities. Clues come from tension between the predictions from Λ cold dark matter (ΛCDM) and observations of gravitationally lensed galaxies. Previous studies showed that galaxy clusters in the ΛCDM are not strong enough to reproduce the observed number of lensed arcs. This work aims to constrain the warm dark matter (WDM) cosmologies by means of the lensing efficiency of galaxy clusters drawn from these alternative models. The lensing characteristics of two samples of simulated clusters in the Λ warm dark matter and ΛCDM

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Publication Date
Sun Oct 30 2022
Journal Name
Iraqi Journal Of Science
Ensemble Approach for Detecting COVID-19 Propaganda on Online Social Networks
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     COVID-19 affected the entire world due to the unavailability of the vaccine. The social distancing was a contributing factor that gave rise to the usage of Online Social Networks. It has been seen that people share the information that comes to them without verifying its source . One of the common forms of information that is disseminated that have a radical purpose is propaganda. Propaganda is organized and conscious method of molding conclusions and impacting an individual's contemplations to accomplish the ideal aim of proselytizer. For this paper, different propagandistic tweets were shared in the COVID-19 Era. Data regarding COVID-19 propaganda was extracted from Twitter. Labelling of data was performed manually using diffe

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Publication Date
Sat Jun 01 2013
Journal Name
Journal Of Economics And Administrative Sciences
Psychological Capital: Behavioral Insight for Study of Spirituality at the Workplace
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Abstract

      This research aims to identify the role of Psychological Capital (PsyCap) in the Spirituality at the Workplace (SAW) for a sample of the teaching staff of the four Colleges of the University of Kufa reached (200) out of (470) teaching, and to achieve the objective of this research and through access to research and studies of foreign adopted researchers standards scales of research variables, since it relied on the model (Luthans, Youssef, et al., 2007) to represent the components of Psychological Capital (self-efficacy, and hope, and optimism, and resilience), and given the attention organizations in the human element because of it

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Publication Date
Tue May 30 2023
Journal Name
Iraqi Journal Of Science
Entropy-Based Feature Selection using Extra Tree Classifier for IoT Security
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      The Internet of Things (IoT) is a network of devices used for interconnection and data transfer. There is a dramatic increase in IoT attacks due to the lack of security mechanisms. The security mechanisms can be enhanced through the analysis and classification of these attacks. The multi-class classification of IoT botnet attacks (IBA) applied here uses a high-dimensional data set. The high-dimensional data set is a challenge in the classification process due to the requirements of a high number of computational resources. Dimensionality reduction (DR) discards irrelevant information while retaining the imperative bits from this high-dimensional data set. The DR technique proposed here is a classifier-based fe

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Publication Date
Mon Jan 01 2018
Journal Name
Matec Web Of Conferences
Brain Tumour Detection using Fine-Tuning Mechanism for Magnetic Resonance Imaging
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In this paper, new brain tumour detection method is discovered whereby the normal slices are disassembled from the abnormal ones. Three main phases are deployed including the extraction of the cerebral tissue, the detection of abnormal block and the mechanism of fine-tuning and finally the detection of abnormal slice according to the detected abnormal blocks. Through experimental tests, progress made by the suggested means is assessed and verified. As a result, in terms of qualitative assessment, it is found that the performance of proposed method is satisfactory and may contribute to the development of reliable MRI brain tumour diagnosis and treatments.

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Publication Date
Mon Jun 19 2023
Journal Name
Journal Of Engineering
A Multi-variables Multi -sites Model for Forecasting Hydrological Data Series
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A multivariate multisite hydrological data forecasting model was derived and checked using a case study. The philosophy is to use simultaneously the cross-variable correlations, cross-site correlations and the time lag correlations. The case study is of two variables, three sites, the variables are the monthly rainfall and evaporation; the sites are Sulaimania, Dokan, and Darbandikhan.. The model form is similar to the first order auto regressive model, but in matrices form. A matrix for the different relative correlations mentioned above and another for their relative residuals were derived and used as the model parameters. A mathematical filter was used for both matrices to obtain the elements. The application of this model indicates i

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Publication Date
Sun Aug 06 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Calculate Some Special Function For The Design of Cavity Linear Accelerator
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              The purpose of this project is to build a scientific base and computational programs in an accelerator design work. The transfer of group of laws in alinear accelerator cavity to computer codes written in Fortran power station language is inorder to get a numerical calculation of an electromagnetic field generated in the cavities of the linear accelerator. The program in put contains mainly the following, the geometrical cavity constant, and the triangular finite element method high – order polynomial. The out put contains vertical and horizontal components of the electrical field together with the electrical and the magnetic field intensity. 

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Publication Date
Sun Dec 31 2023
Journal Name
International Journal Of Intelligent Engineering And Systems
A Ranked-Aware GA with HoG Features for Infant Cry Classification
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