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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
Wed Dec 27 2017
Journal Name
Al-khwarizmi Engineering Journal
Kinetic and Mechanism of Oxidation of Oxalic Acid by Cerium (IV)
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Kinetic and mechanism studies of the oxidation of oxalic acid by Cerium sulphate have been carried out in acid medium sulphuric acid. The uv- vis. Spectrophotometric technique was used to follow up the reaction and the selected wavelength to be followed was 320 nm. The kinetic study showed that the order of reaction is first order in Ce(IV) and fractional in oxalic acid. The effect of using different concentration of sulphuric acid on the rate of the reaction has been studied a and it was found that the rate decreased with increasing the acid concentration. Classical organic tests was used to identify the product of the oxidation reaction, the product was just bubbles of CO2.

 

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Publication Date
Mon Jul 01 2019
Journal Name
The First National Conference On New Perspectives In Interpreting And Translation Studies And Teaching English As A Foreign Language
Promoting Peace by Althusserian and Foucauldian Reading ofLiterature: Sinan Antoon’s I’jaam
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This study seeks to investigate Sinan Antoon’s I’jaam (2004) through applying different theoretical frameworks including those of Althusser (1971) and Foucault (1978). Antoon, considered as one of the most internationally recognized Iraqi writers, wrote this dystopian, war novel in Arabic and translated it to English. Antoon’s emphasis placed on literature acting as an oppositional political voice has, in turn, created its own form of censorship inside the fictional world and outside the actual state censorship during Saadm Hossein reign. Thus, particular political messages within literary texts, like I’jaam, have been received with critical attention. The writing culture in Iraq has established an atmosphere in which literary criti

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Publication Date
Sat Nov 20 2021
Journal Name
Al-mustansiriyah Journal Of Science
Biosynthesis and Characterization of TiO2 Nanoparticles by Lactococcus lactis ssp. lactis
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Lactococcus lactis ssp. lactis isolated from raw milk was used for titanium dioxide (TiO2) nanoparticles biosynthesis. Biosynthesized TiO2 nanoparticles were characterized using UV-vis spectroscopy, Atomic Force Microscopy (AFM) (1.97 nm), X-ray diffraction (XRD) appa-ratus, Field Emission Scanning Electron Microscopy (FE-SEM), Energy dispersive X-ray anal-ysis (EDX) spectra and Fourier Transform Infrared Spectroscopy (FTIR). Result was 408.21 cm-1 that belong to anatase Titania. L. lactis ssp. Lactis isolates had the ability to synthesize TiO2 nanoparticles, the characterization results presented that the biosynthesized nanoparti-cles were at wavelength (344-347) nm; approving the formation of anatase phase of TiO2 NPs; spherical c

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Publication Date
Mon Aug 01 2022
Journal Name
Baghdad Science Journal
Subgroups and Orbits by Companion Matrix in Three Dimensional Projective Space
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The aim of this paper is to construct cyclic subgroups of the projective general linear group over  from the companion matrix, and then form caps of various degrees in . Geometric properties of these caps as secant distributions and index distributions are given and determined if they are complete. Also, partitioned of  into disjoint lines is discussed.

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Publication Date
Sun Jan 01 2012
Journal Name
Journal Of The College Of Languages (jcl)
Difficulties Faced by Engineering Students in Reading and Comprehending English Texts
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Reading is an interactive process that goes on between the reader and the text, resulting in comprehension. The text presents letters, words, sentences, and paragraphs that encode meaning. The reader uses knowledge, skills, and strategies to determine what that meaning is. Reading comprehension is much more than decoding; it results when the reader knows which skills and strategies are appropriate for the type oftext, and understands how to apply them to accomplish the reading purpose.Reading comprehension is important because without it reading is nothing more than tracking symbols on a page with your eyes and sounding them out leaving the reader with no information. Instead of promoting traditional approaches, reading should be ta

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Publication Date
Mon Jan 01 2018
Journal Name
Journal Of Cosmetics, Dermatological Sciences And Applications
Treatment of Kaposi’s Sarcoma by Combination of Zinc Sulfate and Propranolol
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Publication Date
Mon Mar 25 2024
Journal Name
International Journal Of Drug Delivery Technology
Solubility and Dissolution Enhancement of Candesartan Cilexetil by Complexation with Cyclodextrin
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At present, numerous novel chemical compounds face challenges related to their limited solubility in aqueous environments. These compounds are classified under the Biopharmaceutical Classification System (BCS) as either class II or class IV substances. Different carriers were used to increase their solubility. Candesartan cilexetil (CC) is one of the most widely used antihypertensive drugs, which belongs to class II drugs. The aim of this research was to enhance the solubility and dissolution rate of CC through a complexation approach involving β-cyclodextrin and its derivatives, specifically hydroxypropyl beta cyclodextrin (HP-β-CD), methyl beta cyclodextrin (M-β-CD), and sulfonyl ether beta-cyclodextrin (SBE-β-CD), serving as

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Publication Date
Sat Mar 01 2014
Journal Name
Eeng. &tech.journal
Preparation and Characterization of High Quality SnO2 Films Grown by (HPCVD)
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ABSTRACT: In this research SnO2 thin films have been prepared by using hot plate atmospheric pressure chemical vapor deposition (HPCVD) on glass and Si (n-type) substrates at various temperatures. Optical properties have been measured by UV-VIS spectrophotometer, maximum transmittance about (94%) at 400 0C. Structure properties have been studied by using X-ray diffraction (XRD) , its shows that all films have a crystalline structure in nature and by increasing growth temperature from(350-500) 0C diffraction peaks becomes sharper and grain size has been change. Atomic force microscopy (AFM) uses to analyze the morphology of the Tine Oxides surface structure. Roughness & Root mean square for different temperature have been investigated. The r

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Publication Date
Sun Dec 06 2015
Journal Name
Baghdad Science Journal
Generated and shifted of Ion beams By Electrostatic Lenses (Einzel lens)
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In this paper, the path of the extracted and focused ions by the electrostatic lense having three electrodes of the same size and shape have been studied. However, the first and third electrodes had a different potential from the second electrode and the distance between any three electrodes was (d).The beams of the charged particles were controlled by using electrostatic fields which are used for accelerating and focusing. This paper focuses also on the effect of electrodes potentials on ion beam focusing. It is found that the best focusing was achieved when the values of the potential of the first and third electrode are equal to half of the value of the second electrode. Concerning transmiting and acumulating the ions beams, the study sh

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Publication Date
Wed Apr 12 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Simultaneous Determination of Ciprofloxacin Hydrochloride and Mebeverin Hydrochloride by Derivative Spectrophotometry
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    A new Spectrophotometric method, is for individual and simultaneous determination of Ciprofloxacin hydrochloride(CIP) and Mebeverin hydrochloride(MEB) by the first and second derivative mode techniques. The first and second derivative spectra of these compounds  permitted individual and simultaneous determination of CIP and MEB in concentration range of (4-28µg/mL)  by measuring the amplitude of peak- to- base line and the area under peak at selected spectrum intervals. The methods showed a reasonable precision and accuracy and have been applied to determine CIP and MEB in four different pharmaceutical preparations.  

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