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jih-2794
Calculate the Thermal Properties of (S2F2) Using Semi-empirical Quantum Mechanics (MNDO / PM3)
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In this paper, thermal properties were performed by using semi-empirical theoretical calculations to study the molecular structure of a nonlinear molecular system, the (S2F2) molecule in the infrared region, by using semi-empirical quantum programs in the (MNDO / PM3) method. This study is under the condition of obtaining the stable structure of the molecule in which the molecule obtains the minimum value of the total energy. The thermodynamic properties were also calculated, including the heat of formation, whose value was (-61.002kcal / mol),  the entropy and its value (78.2916 cal / mol.k), as well as the heat capacity  (15.9454 cal / mol.k) and the enthalpy (3763.434 cal /mol),  Gibbs Free Energy, it was valued at (-19567.5 cal / mol), these values ​​were taken at the standard temperature 298 k, withdrawing these relationships in graphs and showing the changes in the state That the molecule passes through, and comparing these values with the experimental results.

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Publication Date
Wed Aug 15 2018
Journal Name
Al-khwarizmi Engineering Journal
Construction and Characterization of Organic Solar Cell and Study the Operational Properties
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This article reviews the construction of organic solar cell (OSC) and characterized their optical and electrical properties, where indium tin oxide (ITO) used as a transparent electrode, “Poly (3-hexylthiophene- 2,5-diyl) P3HT / Poly (9,9-dioctylfluorene-alt-benzothiadiazole) F8BT” as an active layer and “Poly(3,4-ethylenedioxythiophene)-poly (styrene sulfonate)” PEDOT: PSS which is referred to the hole transport layer. Spin coating technique was used to prepared polymers thin film layers under ambient atmosphere to make OSC.  The prepared samples were characterized after annealing process at (80 ͦ C) for (30 min) under non-isolated circumference. The results show a value of filling factor (FF) of (2.888), (0.233) and (0.28

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Publication Date
Sat Jun 01 2024
Journal Name
Computational Condensed Matter
Computational modeling study on the physical properties of Pd doped BaTiO3 perovskite
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This contribution investigates structural, electronic, and optical properties of cubic barium titanate (BaTiO3) perovskites using first-principles calculations of density functional theory (DFT). Generalized gradient approximations (GGA) alongside with PW91 functional have been implemented for the exchange–correlation potential. The obtained results display that BaTiO3 exhibits a band gap of 3.21 eV which agrees well with the previously experimental and theoretical literature. Interestingly, our results explore that when replacing Pd atom with Ba and Ti atoms at 0.125 content a clear decrease in the electronic band gap of 1.052 and 1.090 eV located within the visible range of electromagnetic wavelengths (EMW). Optical parameters such as a

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Publication Date
Fri Sep 22 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Air Gap Effect on the Properties of Unsaturated Symmitrical Double Polepiece Lenses
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The  preferable  design  for  unsaturated  symmetrical  spherical

double-pole  piece electron  lens required good focal properties,  and in this  present  study  investigate  effect  of  air  gap  wide  (S)  on  the properties  of  the  projector  lens  specialized  the  minimum  projector

focal  length  1Fr) .     and  the  properties  of  the  axial  magnetic  field

\            lnlll

distribution:(the   maximum

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Publication Date
Wed Feb 08 2023
Journal Name
Iraqi Journal Of Science
Physical Properties and Chemical Kinetics for the Interaction of Albumin with Amoxicillin
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Albumin is the most abundant protein in blood plasma, serves as a circulating depot for endogenous and exogenous (e.g. drugs) compounds due to its ligand binding properties, this work aim to get information about the binding of Amoxicillin (antibiotics) with albumin, and the influence of the solvent polarity and ionic strength on it by using UV -vis spectrophotometric measurements in phosphate buffer of pH7.4 and three different temperature (290, 300, 310) K. The UV absorption shows a change and a shift in the absorbency and a shift in albumin and amoxicillin peaks, the two changes are indicative of complex formation. The stoichiometry of the interaction were calculated by the method of continuous variations which was1:1at pH 7.4.The equ

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Publication Date
Thu Jun 01 2023
Journal Name
Journal Of Engineering
The Effect of Rubber Crumbs on Marshall Properties for Warm Mix Asphalt
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A new pavement technology has been developed in Highway engineering: asphalt pavement production is less susceptible to oxidation and the consequent damages. The warm mix asphalt (WMA) is produced at a temperature of about (10-40) oC lower than the hot asphalt paving. This is done using one of the methods of producing a WMA. Although WMA's performance is rather good, according to previous studies, as it is less susceptible to oxidation, it is possible to modify some of its properties using different materials, including polymers. Waste tires of vehicles are one of the types of polymers because of their flexible properties. The production of HMA, WMA, and WMA modified with proportions of (1, 1.5, and 2%) of rub

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Publication Date
Thu Mar 31 2022
Journal Name
Journal Of The College Of Education For Women
Human Properties of Singapore’s People and their Impact on the State Might
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The research aims to study some of the human characteristics of the state of Singapore to know the impact of these characteristics on the strength of the state, its development and. The research included two aspects, theoretical and analytical, using the descriptive analytical method, force analysis method, as well as the historical method. The data was analyzed according to mathematical equations, including the size of the country's population, the extraction of the population growth rate and the concept of age structure, where some indicators related to this concept have been explained. The researcher reached a set of results, the most important of which were: that the population size of the state of Singapore in the period between (19

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Publication Date
Sat Oct 01 2011
Journal Name
Iraqi Journal Of Physics
The Structure and Electrical Properties of Porous Silicon Prepared by Electrochemical Etching
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Porous silicon was prepared by using electrochemical etching process. The structure, electrical, and photoelectrical properties had been performed. Scanning Electron Microscope (SEM) observations of porous silicon layers were obtained before and after rapid thermal oxidation process. The rapid thermal oxidation process did not modify the morphology of porous layers. The unique observation was the pore size decreased after oxidation; pore number and shape were conserved. The wall size which separated between pore was increased after oxidation and that effected on charge transport mechanism of PS

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Publication Date
Thu May 18 2017
Journal Name
Semiconductor Science And Technology
Improving the optoelectronic properties of titanium-doped indium tin oxide thin films
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Publication Date
Tue May 01 2018
Journal Name
Journal Of Physics: Conference Series
The Approximate Solution of Fractional Damped Burger’s Equation and its Statistical Properties
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Publication Date
Sun Mar 05 2017
Journal Name
Baghdad Science Journal
Preparation and study of the structural and optical properties of Bi2S3 thin films by Spray pyrolysis method
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In this research Bi2S3 thin films have been prepared on glass substrates using chemical spray pyrolysis method at substrate temperature (300oC) and molarity (0.015) mol. Structural and optical properties of the thin films above have been studied; XRD analysis demonstrated that the Bi2S3 films are polycrystalline with (031) orientation and with Orthorhombic structure. The optical properties were studied using the spectral of the absorbance and transmission of films in wavelength ranging (300-1100) nm. The study showed that the films have high transmission within the range of the visible spectrum. Also absorption coefficient, extinction coefficient and the optical energy gap (Eg) was calculated, found that the film have direct ener

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