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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 Oct 24 2018
Journal Name
Chemistry Of Materials
Oxidant or Catalyst for Oxidation? A Study of How Structure and Disorder Change the Selectivity for Direct versus Catalytic Oxidation Mediated by Manganese(III,IV) Oxides
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Structure type and disorder have become important questions in catalyst design, with the most active catalysts often noted to be “disordered” or “amorphous” in nature. To quantify the effects of disorder and structure type systematically, a test set of manganese(III,IV) oxides was developed and their reactivity as oxidants and catalysts tested against three substrates: methylene blue, hydrogen peroxide, and water. We find that disorder destabilizes the materialsthermodynamically, making them stronger chemical oxidantsbut not necessarily better catalysts. For the disproportionation of H2O2 and the oxidative decomposition of methylene blue, MnOx-mediated direct oxidation competes with catalytically mediated oxidation, making the most

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Publication Date
Wed Jan 02 2019
Journal Name
International Journal Of Agricultural & Statistical Sciences
RESPONSE OF OLIVE SEEDLINGS TO HUMIC ACID AND INOCULATION BY FUNGI (TRICHODERMA SSP) AND THE INTERACTION OF THEM AND IRRIGATION BY SALT WATER ON VEGETATIVE GROWTH.
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Publication Date
Wed May 17 2023
Journal Name
Journal Of Engineering
Comparison of the Combining Methods Used In Space Diversity
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The basic concept of diversity; where two or more inputs at the receiver are used to get uncorrelated signals. The aim of this paper is an attempt to compare some possible combinations of diversity reception and MLSE detection techniques. Various diversity combining techniques can be distinguished: Equal Gain Combining (EGC), Maximal Ratio Combining (MRC), Selection Combining and Selection Switching Combining (SS).The simulation results shows that the MRC give better performance than the other types of combining (about 1 dB compare with EGC and 2.5~3 dB compare with selection and selection switching combining).

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Publication Date
Wed Jun 27 2018
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Comparison of Petrophysical Properties Measurement Methods in Sandston Rocks
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This paper displays a survey about the laboratory routine core analysis study on ten sandstone core samples taken from Zubair Reservoir/West Quarna Oil Field. The Petrophysical properties of rock as porosity, permeability, grain's size, roundness and sorting, type of mineral and volumes of shales inside the samples were tested by many apparatus in the Petroleum Technology Department/ University of Technology such as OFITE BLP-530 Gas Porosimeter, PERG-200TM Gas Permeameter and liquid Permeameter, GeoSpec2 apparatus (NMR method), Scanning Electron Microscopy (SEM) and OFITE Spectral Gamma Ray Logger apparatus. By comparing all the results of porosity and permeability measured by these instruments, it is clear a significant vari

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Publication Date
Sun Mar 07 2010
Journal Name
Baghdad Science Journal
Proposed methods of image recognition depend on the PCA
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This paper suggest two method of recognition, these methods depend on the extraction of the feature of the principle component analysis when applied on the wavelet domain(multi-wavelet). First method, an idea of increasing the space of recognition, through calculating the eigenstructure of the diagonal sub-image details at five depths of wavelet transform is introduced. The effective eigen range selected here represent the base for image recognition. In second method, an idea of obtaining invariant wavelet space at all projections is presented. A new recursive from that represents invariant space of representing any image resolutions obtained from wavelet transform is adopted. In this way, all the major problems that effect the image and

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Publication Date
Wed Jan 10 2024
Journal Name
The American Journal Of Interdisciplinary Innovation And Research
SUBJECT: REVIEW METHODS OF DETECTING SUGAR IN A SAMPLE
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Publication Date
Mon Feb 14 2022
Journal Name
Journal Of Educational And Psychological Researches
Methods of Achieving Mental Health from an Islamic Perspective
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The aim of the research is to identify the methods of achieving mental health from an Islamic perspective by using an analytical approach. The methods that were explained: strengthen the spiritual side to control the motives and emotion s overcome the whims of the soul, fear of God and treat mental illness from an Islamic point of view by recognizing self, assurance, foresight, learning and acquiring new trends. Conclusion: we can achieve mental health by optimism, not despair, the compatibility of the Muslim with himself and with others, Consistency, emotional balance, and patience in difficult situations. Islam has attributes that make an individual feels    psychological security. Thus, all these elements achiev

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Publication Date
Sun Dec 03 2017
Journal Name
Baghdad Science Journal
Revaluation of Student Failure Reasons Using Non-Additive Methods
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In this paper, An application of non-additive measures for re-evaluating the degree of importance of some student failure reasons has been discussed. We apply non-additive fuzzy integral model (Sugeno, Shilkret and Choquet) integrals for some expected factors which effect student examination performance for different students' cases.

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Publication Date
Thu Jan 13 2011
Journal Name
Tikrit Journal Of Agricultural Sciences
ESTIMATION OF GENE ACTION AND GENETIC PARAMETERS FOR SOME CHARACTERS OF YIELD AND ITS COMPONENTS IN SUMMER SQUASH (Cucurbita pepo L.) BY USING MEAN GENERATION ANALYSIS
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An experiment was carried out in the vegetables field of Horticulture Department / College of Agriculture / Baghdad University , for the three seasons : spring and Autumn of 2005 , and spring of 2007 , to study the type of gene action in some traits of yield and its components in summer squash crosses (4 x 3 = cross 1 , 3 x 7 = cross 2 , 3 x 4 = cross 3 , 3 x 5 = cross 4 , 5 x 1 = cross 5 , 5 x 2 = cross 6). The study followed generation mean analysis method which included to each cross (P1 , P2 , F1 , F2 , Bc1P1 , Bc1P2) , and those populations obtained by hybridization during the first and second seasons. Experimental comparison was performed in the second (Two crosses only) and third seasons , (four crosses) by using RCBD with three repl

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Publication Date
Wed Jan 01 2025
Journal Name
Journal Of The Indian Chemical Society
Inspection the impact of mixing and external resistance on the Microbial Desalination Cell for electricity generation and desalination efficiency by using Macroalgae as a bio-cathode
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