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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 Jan 05 2022
Journal Name
Iraqi Journal Of Science
A Study of some the optical properties for (SnO2) thin films prepared by Sol-Gel method
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In this research a bilateral tin oxide (SnO2) thin films was prepared by Sol-
Gel method, flow coating technique which is considered a simple and cheap
technique. The horizontal sample preparation with and without the use of
installed, and also with installed to vertical sample. Results of optical
spectroscopy that the biggest values of the transmittance T was for horizontal
films with an installed, as for the absorbance A was the biggest values of the
vertical sample. For the reflectivity R was value in the horizontal films with
installed, less than a horizontal films without Sticky as well as for films
vertical. The results of the energy gap Eg for that direct allowed and forbidden
transitions and for the ind

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Publication Date
Fri Dec 01 2023
Journal Name
Case Studies In Chemical And Environmental Engineering
Simultaneous electrodeposition of multicomponent of Mn–Co–Ni oxides electrodes for phenol removal by anodic oxidation
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Electrodeposition of metal oxides on graphite electrodes can improve their ability to remove organic substances. In this work, multicomponent oxides of Mn, Co, and Ni were electrochemically deposited on both the anode and cathode of graphite electrodes to enhance their performance in removing phenol. Formation of the deposit was achieved within 2 h in current densities of 20, 25, 30, and 35 mA/cm2 for better composite properties. The deposited layer was characterized by testing the surface structure, morphology, composition, and roughness. X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray (EDX), and Atomic force microscopy (AFM) techniques facilitated these tests. The composite electrodes have synthesized

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Publication Date
Wed Mar 18 2020
Journal Name
Baghdad Science Journal
Study of Second Hankel Determinant for Certain Subclasses of Functions Defined by Al-Oboudi Differential Operator
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The concern of this article is the calculation of an upper bound of second Hankel determinant for the subclasses of functions defined by Al-Oboudi differential operator in the unit disc. To study special cases of the results of this article, we give particular values to the parameters A, B and λ

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Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
A new approach for the topical treatment of acne vulgaris by clindamycin HCL supported on kalion
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Has been studied both processes Almetzaz and extortion of a substance Alklanda Maysan different amounts of Alcaúlan Guy 70% alcohol solution using the method when the wavelength

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Publication Date
Sat Feb 02 2019
Journal Name
Journal Of The College Of Education For Women
The principals and techniques of geography text book for fourth secondary: The principals and techniques of geography text book for fourth secondary
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Abstract
The curriculum is the major effective tool in achieving the goals of
education and society.

Many countries that want to reach the forefront of developed countries
through their curriculum have realized this fact. School text book, the
application assessment for knowing the rang of success or fail of this text
book in achieving the general aims. therefore this study aims at assessing the
principals and techniques of geography text book for fourth secondary class of
literary studying from the teachers point of view according to the fields of the
book, style of material, technical arrangement of the material, ethnical
arrangement the language of the book, style of the material, technical
arrang

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Publication Date
Thu Dec 23 2021
Journal Name
Iraqi Journal Of Science
Estimation and Analysis of Solar Radiation on Horizontal and Inclined Surface for Baghdad City
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    The knowledge of the quantity of total solar radiation on horizontal and inclined surfaces is very important in the calculations of heating and cooling loads in architecture and in the design of certain solar energy applications such as photovoltaic and solar collectors. This paper estimates the total solar radiation on inclined surfaces in Baghdad (Lat. 330 21' N      440 14' long and 34m above MSL).  A good model was used to estimate hourly total solar radiation on the inclined surface with different elevations (150, 300, 450, 600, 750, 900) from a horizontal surface. The mean hourly, daily and monthl

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Publication Date
Sat Dec 30 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
A New Biological System For Detecting Environmetal Carcinogens And /Or Mutagenes And Their Adversary
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A  new  test  system  for  detecting  environment  carcinogenes and/or  mutagenes  and  their  adversary  It  has  been  induced.  One hundred and fifty   mutants   were isolated from   the basidiomycete fungus Coprinus cinereus   which were   resistant to guanine analogue S- az.aguanine .All the spontaneous and induced with UV light origin mutants were isolated from the wild type strains Bc9/6.6 and  Hd5.5

.These mutants were te ted on selective medium containing  different

concentrations of the analogue and also to their ability to usc purine bases and their degredated &nbs

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Publication Date
Sat Nov 10 2018
Journal Name
Iraqi National Journal Of Nursing Specialties
Assessment of Clinical Learning and Training Environment for Maternal and Child Health Nursing Students
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Objective: To assess the clinical learning environment and clinical training for students' in maternal and child
health nursing.
Methodology: A descriptive study was conducted on non probability sample (purposive) of (175) students' in
Nursing College/ University of Baghdad for the period of June 19th to July 18th 2013. A questionnaire was used as a
tool of data collection to fulfill with objective of the study and consisted of three parts, including demographic,
clinical learning environment and clinical training for students' in maternal and child health nursing. Descriptive
statistical analyses were used to analyze the data.
Results: The results of the study revealed that the 65.1% of student at age which ranged b

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Publication Date
Mon Jan 01 2018
Journal Name
Matec Web Of Conferences
Permittivity and Permeability Characterization of SiC and Ferro Metals for Structural Health Monitoring Utilization
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The need for wireless sensing technology has rapidly increased recently, specifically the usage of electromagnetic waves which becoming more required as a source of information. Silicon carbide (SiC) Nano particles has been used in this study, the material under test (MUT) was exposed directly to a microwave field to examine the electromagnetic behavior. The permittivity and permeability were investigated with different filler materials to approach best and optimal electromagnetic absorbing characteristics to assist engineers to monitor structure-based composite for defects evaluation that may occur during operation conditions or through manufacturing process. XRD, FESEM and both complex permittivity and permeability were measured f

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Publication Date
Thu Apr 11 2024
Journal Name
Euphrates Journal Of Agriculture Science
Effect of cultivars and irrigation periods on some growth and yield indicators for watermelon
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