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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
Sun Dec 01 2013
Journal Name
Toxicon
Methods for simultaneous detection of the cyanotoxins BMAA, DABA, and anatoxin-a in environmental samples
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Publication Date
Fri Feb 01 2019
Journal Name
Journal Of Economics And Administrative Sciences
Comparison of classical method and optimization methods for estimating parameters in nonlinear ordinary differential equation
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 ABSTRICT:

  This study is concerned with the estimation of constant  and time-varying parameters in non-linear ordinary differential equations, which do not have analytical solutions. The estimation is done in a multi-stage method where constant and time-varying parameters are estimated in a straight sequential way from several stages. In the first stage, the model of the differential equations is converted to a regression model that includes the state variables with their derivatives and then the estimation of the state variables and their derivatives in a penalized splines method and compensating the estimations in the regression model. In the second stage, the pseudo- least squares method was used to es

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Publication Date
Fri Jan 01 2021
Journal Name
Journal Of Economics And Administrative Sciences
Comparison Between Maximum Likelihood and Bayesian Methods For Estimating The Gamma Regression With Practical Application
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In this paper, we will illustrate a gamma regression model assuming that the dependent variable (Y) is a gamma distribution and that it's mean ( ) is related through a linear predictor with link function which is identity link function g(μ) = μ. It also contains the shape parameter which is not constant and depends on the linear predictor and with link function which is the log link and we will estimate the parameters of gamma regression by using two estimation methods which are The Maximum Likelihood and the Bayesian and a comparison between these methods by using the standard comparison of average squares of error (MSE), where the two methods were applied to real da

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Publication Date
Wed Jun 01 2016
Journal Name
Journal Of Economics And Administrative Sciences
Box and Jenkins use models to predict the numbers of patients with hepatitis Alvairose in Iraq
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The time series of statistical methods mission followed in this area analysis method, Figuring certain displayed on a certain period of time and analysis we can identify the pattern and the factors affecting them and use them to predict the future of the phenomenon of values, which helps to develop a way of predicting the development of the economic development of sound

The research aims to select the best model to predict the number of infections with hepatitis Alvairose models using Box - Jenkins non-seasonal forecasting in the future.

Data were collected from the Ministry of Health / Department of Health Statistics for the period (from January 2009 until December 2013) was used

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Publication Date
Fri Jan 01 2021
Journal Name
Turkish Journal Of Physiotherapy And Rehabilitation
ESTIMATION OF SOME SELECTED ORGANIC AND INORGANIC POLLUTANTS IN INDUSTRIAL WASTEWATER AND TIGRIS RIVER
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Determination of the concentrations of some inorganic elements (Fe, Co, Cu, Cr, Ni, Pb, Cd) by Flame Atomic Absorption Spectroscopy, Electrothermal Atomic Absorption Spectroscopy, and Inductively Coupled Plasma. and two dangerous organic pollutants (PAH and phenols) by GC and UV in the wastewater of Z.LTF Zafaraniya Leather tanning factory, W.BF Al-Waziriya Battery factory, Ba.WLS Al-Bayaa Wastewater Lifting Station, and some points of Tigris River in Baghdad city taking into consideration the sampling time Varying (two months) and setting the temperature during the drawing of the model. The results of the analysis revealed that the wastewater was contaminated with phenols, PAHs, and metals (Pb, Cd, Cr, Cu) at high rates that exceeded the p

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Publication Date
Sat Jan 01 2022
Journal Name
Euphrates Journal Of Agricultural Science
Effect of potassium fertilization levels and organic nutrient on growth and yield of cucumber
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Publication Date
Mon Jan 01 2024
Journal Name
Baghdad Science Journal
Water Treatment Using Zinc Nanoparticles and Apricot Plant Extracts from Organic and Inorganic Pollution
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The apricot plant was washed, dried, and powdered after harvesting to produce a fine powder that was used in water treatment. created an alcoholic extract from the apricot plant using ethanol, which was then analysed using GC-MS, Fourier transform infrared spectroscopy, and ultraviolet-visible spectroscopy to identify the active components. Zinc nanoparticles were created using an alcoholic extract. FTIR, UV-Vis, SEM, EDX, and TEM are used to characterize zinc nanoparticles. Using a continuous processing procedure, zinc nanoparticles with apricot extract and powder were employed to clean polluted water. Firstly, 2 g of zinc nanoparticles were used with 20 ml of polluted water, and the results were Tetra 44% and Levo 32%; after

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Publication Date
Sun Jul 01 2012
Journal Name
Journal Of Educational And Psychological Researches
Arabic Calligraphy quality standards and teaching methods
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Arabic calligraphy is one of the ancient arts rooted in history, And that he grew up conflicting views and writings addressed as a, communication tool for the linguistic The teaching calligraphy note an art and science because it depends on the fixed assets and precise rules in his art because centered Beauty It targets teach Arabic calligraphy speed as the education and recitation helps to write fast Which have great interest in the field of education and in life both Also accompanied Arabic calligraphy and scientific renaissance significant knowledge in the Ara

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Publication Date
Fri Jun 01 2012
Journal Name
Journal Of Economics And Administrative Sciences
Banking efficiency between concept and measurement methods
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The research aims to review the concepts of banking efficiency and its relationship to performance, productivity and efficiency, as well as analyze the efficiency of the banking in micro-economic view.
In order to achieve the objectives of the research We have been employed graphic, Econometrics  and Mathematical methods to derive the different concepts of banking efficiency.

We showed that there are two main methods used to measure the bank efficiency, the first called Stochastic Frontier Analysis , this technique depends on the parametric methods, The other method is called Data Envelopment Analysis is based on mathematical programming methods

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Publication Date
Sat Aug 01 2020
Journal Name
Journal Of Engineering
Urban Morphological Studies (Concepts, Techniques, and Methods)
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Urban morphological approach (concepts and practices) plays a significant role in forming our cities not only in terms of theoretical perspective but also in how to practice and experience the urban form structures over time. Urban morphology has been focused on studying the processes of formation and transformation of urban form based on its historical development. The main purpose of this study is to explore and describe the existing literature of this approach and thus aiming to summarize the most important studies that put into understanding the city form. In this regard, there were three schools of urban morphological studies, namely: the British, the Italian, and the French School. A reflective comparison between t

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