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Investigation of the vibrational spectral and electronic properties for ZnxBe7-xO7 wurtzoid via DFT approximation

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Publication Date
Fri Jan 01 2016
Journal Name
Al–bahith Al–a'alami
Designing the Websites of the Iraqi Electronic Newspapers and its Role in Attracting Visitors

The researcher seeks to know the extent of applying the concept of design by Iraqi electronic press sites to provide media product with the acceptance of their browsers and ensure their repeated visits to such sites in the framework of the guiding rules for laser browsing. The researcher uses analytical study on a sample of six Iraqi electronic newspaper sites to identify the general features of their design and the methods of distribution of the structural elements of the pages. The researcher also conducts a field study on a sample of the surfers of electronic newspaper sites to see the extent of their evaluation to their design and the degree of their satisfaction.

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Publication Date
Sun Jan 01 2023
Journal Name
Inorganic Chemistry Communications
Detection of nitrotyrosine (Alzheimer's agent) by B24N24 nano cluster: A comparative DFT and QTAIM insight

A nano-sensor for nitrotyrosine (NT) molecule was found by studying the interactions of NT molecule with new B24N24 nanocages. It was calculated using density functionals in this case. The predicted adsorption mechanisms included physical and chemical adsorption with the adsorption energy of −2.76 to −4.60 and −11.28 to −15.65 kcal mol−1, respectively. The findings show that an NT molecule greatly increases the electrical conductivity of a nanocage by creating electronic noise. Moreover, NT adsorption in the most stable complexes significantly affects the Fermi level and the work function. This means the B24N24 nanocage can detect NT as a Φ–type sensor. The recovery time was determined to be 0.3 s. The sensitivity of pure BN na

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Publication Date
Wed Nov 01 2017
Journal Name
Materials Chemistry And Physics
DFT + U and ab initio atomistic thermodynamics approache for mixed transitional metallic oxides: A case study of CoCu 2 O 3 surface terminations

This study develops a systematic density functional theory alongside on-site Coulomb interaction correction (DFT + U) and ab initio atomistic thermodynamics approachs for ternary (or mixed transitional metal oxides), expressed in three reservoirs. As a case study, among notable multiple metal oxides, synthesized CoCu2O3 exhibits favourable properties towards applications in solar, thermal and catalytic processes. This progressive contribution applies DFT + U and atomistic thermodynamic approaches to examine the structure and relative stability of CoCu2O3 surfaces. Twenty-five surfaces along the [001], [010], [100], [011], [101], [110] and [111] low-Miller-indices, with varying surface-termination configurations were selected in this study.

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Publication Date
Thu May 25 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Physiochemical and Spectral Characterization For a Biological Active, Solanidine&Solasodine Partial Purification Compounds From (Solanum nigrum L)

 This study includes a physiochemical and a spectrocpical characterization to some alkaloid compounds in the (ANAB AL- THEAB) plant (Solanum nigrun L.). It’s the most important medicinal herb belonging to the family (Solanaceae). Acid  hydrolysis was performed by using limited conc. of  Hcl and H2SO4, to obtain the aglycon  part of previously separated steroidal componants as (A, B and C).   The characterization of the(A,B and C) compounds indicates that they varied between them as the separated steroidal like-alkaloids, carried by using melting  point (m.p.), thin layer chromatography (TLC), Infra -Red  spectroscopy (IR) and Ultra violet-Visible  spectroscopy (UV - Visible).High perfor

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Publication Date
Fri Jun 30 2023
Journal Name
Iraqi Journal Of Science
Satellite Image Classification using Spectral Signature and Deep Learning

    When images are customized to identify changes that have occurred using techniques such as spectral signature, which can be used to extract features, they can be of great value. In this paper, it was proposed to use the spectral signature to extract information from satellite images and then classify them into four categories. Here it is based on a set of data from the Kaggle satellite imagery website that represents different categories such as clouds, deserts, water, and green areas. After preprocessing these images, the data is transformed into a spectral signature using the Fast Fourier Transform (FFT) algorithm. Then the data of each image is reduced by selecting the top 20 features and transforming them from a two-dimensiona

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Publication Date
Wed Mar 01 2023
Journal Name
Baghdad Science Journal
An Investigation of Corona Domination Number for Some Special Graphs and Jahangir Graph

In this work,  the study of corona domination in graphs is carried over which was initially proposed by G. Mahadevan et al. Let be a simple graph. A dominating set S of a graph is said to be a corona-dominating set if every vertex in is either a pendant vertex or a support vertex. The minimum cardinality among all corona-dominating sets is called the corona-domination number and is denoted by (i.e) . In this work, the exact value of the corona domination number for some specific types of graphs are given. Also, some results on the corona domination number for some classes of graphs are obtained and the method used in this paper is a well-known number theory concept with some modification this method can also be applied to obt

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Publication Date
Sat Sep 23 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Direct Estimation for Approximation by Bernstein Polynomial by Using Ditzian-Totik and Average in L Ja,h11 p < oo Modulus of Smoothness

The  purpose  of  the  paper  is  to  tind  the  degree  of  the approximation of a functions  f be bounded , measurable and defined

in  interval   [a,h]by  Bernstein  polynomial  in  LP    space  1 $ p < oo by

 

using Ditzian-Totik modulus  of smootlmess  and  k 1n  average modvlus of smoothness.

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Publication Date
Tue May 01 2018
Journal Name
2018 2nd Ieee Advanced Information Management,communicates,electronic And Automation Control Conference (imcec)
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Publication Date
Thu Dec 01 2022
Journal Name
Baghdad Science Journal
The Approximation of Weighted Hölder Functions by Fourier-Jacobi Polynomials to the Singular Sturm-Liouville Operator

      In this work, a weighted H lder function that approximates a Jacobi polynomial which solves the second order singular Sturm-Liouville equation is discussed. This is generally equivalent to the Jacobean translations and the moduli of smoothness. This paper aims to focus on improving methods of approximation and finding the upper and lower estimates for the degree of approximation in weighted H lder spaces by modifying the modulus of continuity and smoothness. Moreover, some properties for the moduli of smoothness with direct and inverse results are considered.

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Publication Date
Wed Jan 19 2022
Journal Name
Iraqi Journal Of Science
Influence of reactant catalyst type and Drying Control Chemical Additives (DCCA) on optical and structural properties of silica aerogel prepared via ambient pressure drying

We have studied the synthesis environment of ambient pressure silica aerogels influence on their resulting morphological and optical properties. Transparent nanoporous silica aerogel was synthesized at ambient pressure using tetraethylorthosilicate precursor via a sol-gel process. Effect of drying control chemical additives and catalyst on physical properties was investigated. Trimethylchlorolsilane was employed as a hydrophobic reagent in the surface modification process. All aerogel samples were prepared utilizing a subcritical procedure under reactant pH fixed at 8.3, using just ammonium hydroxide or together with ammonium fluoride as catalyst. The effects catalyst types as well as drying control chemical additives on the physical pro

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