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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 Sep 06 2009
Journal Name
Baghdad Science Journal
Radon concentration measurement in soil for some northen Iraqi's regions by using CR-39 detector
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Concentrations of radon were measured in this study for twenty-four samples of soil distributed in six locations on the north part of Iraq. The radon concentrations in soil samples measured by using alpha-emitters registration that emits from Radon (222Rn) in (CR-39) track detector. The concentrations values were calculated by a comparison with standard samples. The results shows that the radon gas concentrations in Darbandikhan City varies from (16.60-34.04 Bq/m3), Halabja City (16.51-23.32 Bq/m3), Al Sulaimaniya City (17.61-32.25 Bq/m3), Koisnjaq City (22.04-35.65 Bq/m3), Shaqlaua City (21.10-29.10 Bq/m3) and Erbil City (22.30-34.63 Bq/m3). The average radon gas concentration in Al Sulaimaniya and Erbil governorate are (22.30 Bq/m3)

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Publication Date
Fri Jul 21 2023
Journal Name
Journal Of Engineering
ADJUSTING OFF – CENTERING PROCESS FOR A BLOW MOLDED PLASTIC PRODUCT BY USE OF WINQSB SOFTWARE
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In most manufacturing processes, and in spite of statistical control, several process capability indices refer to non conformance of the true mean (µc ) from the target mean ( µT ), and the variation is also high. In this paper, data have been analyzed and studied for a blow molded plastic product (Zahi Bottle) (ZB). WinQSB software was used to facilitate the statistical process control, and process capability analysis and some of capability indices. The relationship between different process capability indices and the true mean of the process were represented, and then with the standard deviation (σ ), of achievement of process capability value that can reduce the standard deviation value and improve production out of theoretical con

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Publication Date
Sat Dec 10 2016
Journal Name
Misan Journal For Physical Education Sciences
Designing and Standardizing two tests for motor coordination timing for youth basketball players
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Designing and Standardizing two tests for motor coordination timing for youth basketball players Research submitted by Prof. Faris sami & asst. prof. Wasan hanoon ali & asst. prof. Feras muttasher Baghdad University-College Of Physical Education and Sport Sciences Motor coordination in basketball is considered one of the most important factors for success in skill performance accuracy and speed due to the defensive and offensive situations of the game. The problem of the research lies in the lack of tests that can specify the growth of motor coordination through which the relative change for a number of players can be noticed due to practice and training. The subjects of the research were (30) young league players of National Center for gif

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Publication Date
Sun Apr 16 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Empirical Formula for Neutron Yield for (α,n) Reactions from 63cu and 65cu
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  The calculated neutron yields from (α, n) reactions are very important in analyzing radiation shielding of spent fuel storage, transport and safe handling. The cross sections of 63Cu (α, n) 66Ga and 65Cu (α, n) 68Ga reactions are calculated for different α-energies using different sets of programs using Matlab language. The values deduced energy is from threshold to Eα= 30 MeV and to Eα= 40 MeV for 63Cu (α, n) 66Ga and 65Cu (α, n) 68Ga respectively. The weight average cross section was then  used to calculate the neutron yields y0 (n/106α) for each reaction .The empirical formula was then suggested to calculate total neutron yield to each isotope.
 

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Publication Date
Wed Dec 18 2019
Journal Name
Baghdad Science Journal
Structural and Optical Properties for Nanostructure (Ag2O/Si & Psi) Films for Photodetector Applications
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Ag2O (Silver Oxide) is an important p-type (in chasm to most oxides which were n-type), with a high conductivity semiconductor. From the optical absorbance data, the energy gap value of the Ag2O thin films was 1.93 eV, where this value substantially depends on the production method, vacuum evaporation of silver, and optical properties of Ag2O thin films are also affected by the precipitation conditions. The n-type and p-type silicon substrates were used  with porous silicon wafers to precipitate  ±125 nm, as thick Ag2O thin film by thermal evaporation techniques in vacuum and via rapid thermal oxidation of 400oC and oxidation time 95 s, then characterized by measurement of

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Publication Date
Mon Mar 08 2021
Journal Name
Baghdad Science Journal
SiCi_xNxthin films preparation by TEA-Co2 Laser induced Vapor-phase reaction and study of the nature of chemical bonds and some their electrical and optical properties
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A pulsed (TEA-0O2) laser was used to dissociate molecules of silane ethylene (C2I-14) and ammonia (NH3) gases, through collision assisted multiple photon dissociation (MPD) to deposit(SiC i_xNx) thin films, where the X-values are 0, 0.13 and 0.33, on glass substrate at T,----648 K. deposition rate of (0.416-0.833) nm/pulse and thickness of (500-1000)nm .Fourier transform infrared spectrometry (FT-IR) was used to study the nature of the chemical bonds that exist in the films. Results revealed that these films contain complex networks of the atomic (Si, C, and N), other a quantity of atomic hydrogen and chemical bonds such as (Si-N, C-N, C-14 and N-H).Absorbance and Transmittance spectra in the wavelength range (400-1100) nm were used to stud

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Publication Date
Wed Jan 01 2014
Journal Name
Iraqi Journal Of Science
Calculate the Longitude and Orbital Motion for Amaletha, Europa, Ganymede and Callisto Satellites
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The orbital motion and longitude for some Jupiter's satellites (Amaletha, Europa, Ganymede and Callisto) were calculated from two different locations Iraq and Syria. A program was designed, the input parameters were the desired year, month, day and the longitude of the location, the output parameters results were applied in form of a file, and this file includes the longitude, orbital motion, and local time of these satellites. A specific date 1-10-2013 was taken, the results of longitude was (20-336) º and orbital motion was (92-331) º for both Iraq and Syria location with observing time (05:24:14-15:18:10) for Iraq and (04:56:33-14:50:30) for Syria. The difference in time between the two locations was constant (00:45:00), these results

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Publication Date
Wed Mar 30 2022
Journal Name
Iraqi Journal Of Science
Matter Density Distributions and Reaction Cross Sections for 8Li and 22N Exotic Nuclei
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     The Harmonic Oscillator (HO) and Gaussian (GS) wave functions within the Binary Cluster Model (BCM) were employed to investigate neutron, proton and matter densities of the ground state as well as the elastic proton form factors of one neutron 8Li and 22N halo nuclei. The long tail is a property that is clearly shown in the neutron density. The existence of a long tail in the neutron densities of 8Li and 22N indicates that these nuclei have a neutron halo structure. Moreover, the matter rms radii and the reaction cross section  of these nuclei were calculated using the Glauber model.

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Publication Date
Wed Feb 08 2023
Journal Name
Iraqi Journal Of Science
Hybrid Fuzzy Logic and Artificial Bee Colony Algorithm for Intrusion Detection and Classification
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In recent years, with the growing size and the importance of computer networks, it is very necessary to provide adequate protection for users data from snooping through the use of one of the protection techniques: encryption, firewall and intrusion detection systems etc. Intrusion detection systems is considered one of the most important components in the computer networks that deal with Network security problems. In this research, we suggested the intrusion detection and classification system through merging Fuzzy logic and Artificial Bee Colony Algorithm. Fuzzy logic has been used to build a classifier which has the ability to distinguish between the behavior of the normal user and behavior of the intruder. The artificial bee colony al

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Publication Date
Wed Dec 01 2021
Journal Name
Iraqi Journal Of Physics
Optical and A.C. Electrical Properties for Polypyrrole and Polypyrrole/Graphene (ppy/gn) Nanocomposites
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In this work, chemical oxidation was used to polymerize conjugated polymer "Polypyrrole" at room temperature Graphene nanoparticles were added by in situ-polymerization to get (PPY-GN) nano. Optical and Electrical properties were studied for the nanocomposites. optical properties of the nanocomposites were studied by UV-Vis spectroscopy at wavelength range (200 -800 nm). The result showed optical absorption spectra were normally determined and the result showed that the maximum absorbance wave length at 280nm and 590nm. The optical energy gap has been evaluated by direct transition and the value has decreased from (2.1 eV for pure PPy) to (1.3 eV for 5 %wt. of GN). The optical constants such as the band tail width ΔE was evaluated, the

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