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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 Apr 10 2024
Journal Name
Euphrates Journal Of Agriculture Science
Effect of irrigation levels and organic matter on quality chracteristics of chilli pepper under organic farming system
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Publication Date
Sun Apr 30 2023
Journal Name
Iraqi Journal Of Science
Prediction of Daily Maximum Air Temperature for Transitional Seasons by Statistical Methods in Baghdad
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     Predicting the maximum temperature is of great importance because it is related to various aspects of life, starting from people’s lives and their comfort, passing through the medical, industrial, agricultural and commercial fields, as well as concerning global warming and what can result from it. Thus, the historical observations of maximum and minimum air temperature, wind speed and relative humidity were analyzed in this work. In Baghdad, the climatic variables were recorded on clear sky days dawn at 0300 GMT for the period between (2005-2020). Using weather station's variables multiple linear regression equation, their correlation coefficients were calculated to predict the daily maximum air temperature for any day during

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Publication Date
Wed Aug 31 2022
Journal Name
Iraqi Journal Of Science
The Jurassic and Deep Structures Inferred from Gravity Data Depending on Stripping Technique for The Uppermost Layers in Central and Southern Iraq
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      The gravity anomalies of the Jurassic and deep structures were obtained by stripping the gravity effect of Cretaceous and Tertiary formations from the available Bouguer gravity map in central and south Iraq. The gravity effect of the stripped layers was determined depending on the density log or the density density obtained from the sonic log. The density relation with the seismic velocity of Gardner et al (1974) was used to obtain density from sonic logs in case of a lack of density log. The average density of the Cretaceous and Tertiary formation were determined then the density contrast of these formations was obtained. The density contrast and thickness of all stratigraphic formations in the area between the sea level to t

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Publication Date
Mon Mar 07 2022
Journal Name
Journal Of Educational And Psychological Researches
Innovative Thinking and its Relation with the Cognitive Inhibition among at the University Students
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This study aimed to measure the innovative thinking and cognitive cessation among university students. The sample consisted of (400) male and female students at al Mustansiriya University for the academic year (2018/2019). The results of the study showed that there are differences in innovative thinking and cognitive inhibition according to the gender variable in favor of males. There is a positive relationship between innovative thinking and cognitive inhibition. In light of these findings, the researcher presented a set of conclusions and recommendations.

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Publication Date
Tue Sep 01 2020
Journal Name
Baghdad Science Journal
Using Dates Leaves Midribs to Prepare Hierarchical Structures Incorporating Porous Carbon and Zeolite A Composites for Cesium137Cs Ion Exchange
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This study synthesized zeolite 4A, and hierarchical composite structure consisting of zeolite 4A- carbon were successfully prepared. Hydrothermal method was used to grow a layer of zeolite 4A over porous carbon surfaces to enhance mass transfer and increase surface area of zeolite. The products then were used to remove radioactive cesium137Cs from liquid wastewater. Iraqi dates leaves midribs (DM) were used as locally available agricultural waste to prepare low- cost porous carbon, using carbonization method in tubular furnace at 900C for two hours. Hierarchical porous structures including zeolite are prepared by mechanically activating the carbon surface via Ultrasonicating nanoparticles suspension of ground zeolite type 4A.F

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Publication Date
Sun Mar 03 2013
Journal Name
Baghdad Science Journal
A Comparison of the Methods for Estimation of Reliability Function for Burr-XII Distribution by Using Simulation.
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This deals with estimation of Reliability function and one shape parameter (?) of two- parameters Burr – XII , when ?(shape parameter is known) (?=0.5,1,1.5) and also the initial values of (?=1), while different sample shze n= 10, 20, 30, 50) bare used. The results depend on empirical study through simulation experiments are applied to compare the four methods of estimation, as well as computing the reliability function . The results of Mean square error indicates that Jacknif estimator is better than other three estimators , for all sample size and parameter values

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Publication Date
Wed Mar 01 2023
Journal Name
Baghdad Science Journal
New Structures of Continuous Functions
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         Continuous functions are novel concepts in topology. Many topologists contributed to the theory of continuous functions in topology. The present authors continued the study on continuous functions by utilizing the concept of gpα-closed sets in topology and introduced the concepts of weakly, subweakly and almost continuous functions. Further, the properties of these functions are established.

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Publication Date
Fri Sep 22 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis and Characterization of Some Inorganic Compounds and Study their Effect in activity of Laccase Produced by Fungal isolate Pleurotus ostreatus
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The new ligand(OBTMRZ),Bis[4-phenyl-3(2-propenyl)thio-1,2,4- triazole  -5yl] methane  was prepared and characterized by vibrational

 

,

 

,

 

spectra  and J>hysical methods,selected metals,which  were Cu11

 

Zn 11

 

Mn11,Co11,Fe"  and  Hg11   were  reacted   with  ligand   to &

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Publication Date
Wed Mar 08 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Amino Acids as Environmentally-Friendly Corrosion Inhibitors for 2024 Aluminium Alloy in Akaline Medium
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The corrosion behavior of 2024 aluminium alloy was investigated in alkaline medium (pH=13) containing 0.6 . in absence and presence of different concentrations of three amino acids separately [Methionine, Glutamice acid and Lysine] as environmentally friendly corrosion inhibitors over the temperature range (293-308)K. Electrochemical polarization method using potentiostatic technique was employed. The inhibition efficiency increased with an increase of the inhibitor concentration but decreased with increase in temperature . The maximum efficiency value was found with lysine =80.4 of 293 k and 10 . concentration of lysine. The adsorption of the amino acids was found to obey Langmuir adsorption isotherm . Some thermodynamic parameter âˆ

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Publication Date
Tue Jun 05 2018
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Synthesis, Characterization and Alpha Glucosidase Inhibition activity of new Phthalimide Derivatives
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 Three of imide intermediate products  were synthesized by reacting of phthalic anhydride with glycine (2a), and tetrachloro phthalic anhydride with glycine , (S)-2-[(tert-Butoxycarbonyl)amino]-3-aminopropionic acid ( 2b,c)  respectively   in  dry toluene  with azeotropic removal of water using Dean- stark apparatus then carboxyl functional group activated by refluxing with  thionyl chloride, the resulted acid chloride (3a-c) were reacted with different amine (5-flourouracil, 4-chloroaniline, 4-bromoaniline, 2-amino thiazole, and pyrrolidine) (4a-e) , the   resulted products consider as

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