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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
Sun Dec 15 2019
Journal Name
Journal Of Baghdad College Of Dentistry
The Effects of Nano Alumina On Mechanical Properties of Room Temperature Vulcanized Maxillofacial Silicone (Pilot Study)
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Background: Facial disfigurement can be the result of a congenital anomaly, trauma or tumor surgery, in many cases the prosthetic rehabilitation is indicated. Maxillofacial prosthetic materials should have desirable and ideal physical, aesthetic, and biological properties and those properties should be kept for long period of time in order to reach patient acceptance. Silicone elastomer are the most commonly used material for facial restoration because of its favorable properties mechanically and physically as the biocompatibility and good elasticity. Aim of this study: This study aimed to evaluate the effect of addition of Aluminum oxide (Al2O3) Nano fillers in different concentrations on tear strength and hardness of VST 50F room tempe

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Publication Date
Tue Oct 01 2019
Journal Name
Ceramics International
A first-principles study of the electronic, structural, and optical properties of CrN and Mo:CrN clusters
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Publication Date
Wed Jan 01 2020
Journal Name
Aip Conference Proceedings
Effect of BaTio3 mixture on the structural, electrical properties and morphology for PET/ BaTiO3 composite
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In the present work, the focusing was on the study of the x-ray diffraction, dielectric constant, loses dielectric coefficient, tangent angle, alter- natively conductivity and morphology of PET/BaTio3. The PET/BaTio3 composite was prepared for polyethylene terephthalate PET polymer composite containing 0, 10, 20, 30, 40, 50, and 60 wt. % from Barium titanate BaTi03 powder. The composite of two materials leads to form mixing solution and hot-pressing method. The effect of BaTio3 on the structure and dielectric properties with morphology was studied on PET matrix polymer using XRD, LCR meter and SEM.

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Publication Date
Mon May 22 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis , Characterization and Study The Liquid Crystalline Properties of N-Acyl , Thiourea and Imidazole Derivatrives.
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    The synthesis , characterization and mesomorphic behaviour of new Nacyl , thiourea and imidazole derivatives which derived from corresponding Schiff bases are reported.             All the synthesized compounds which contain flexible methylene group in the centre of the molecule did not show any liquid crystalline properties . The derivatives of N- acyl [III]e  and thiourea [VI]e  which contain  biphenyl and all compounds with one phenyl in the centre of the molecule display liquid crystalline behaviour .While the imidazoles did not show any liquid crystalline properties except [V]b [V]e  with biphenyl in the centre of the molecule . All th

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Publication Date
Mon Jan 01 2018
Journal Name
Aip Conference Proceedings
Fabricated and investigated the structure and super conductivity properties of Bi2Sr2Can-1CunO2n+4+δ compound
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Publication Date
Sat Feb 19 2022
Journal Name
Advances In Continuous And Discrete Models
Geometric properties of the meromorphic functions class through special functions associated with a linear operator
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Abstract<p>According to the theory of regular geometric functions, the relevance of geometry to analysis is a critical feature. One of the significant tools to study operators is to utilize the convolution product. The dynamic techniques of convolution have attracted numerous complex analyses in current research. In this effort, an attempt is made by utilizing the said techniques to study a new linear complex operator connecting an incomplete beta function and a Hurwitz–Lerch zeta function of certain meromorphic functions. Furthermore, we employ a method based on the first-order differential subordination to derive new and better differential complex inequalities, namely differential subordinations.</p>
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Publication Date
Sat Jan 01 2022
Journal Name
The 2nd Universitas Lampung International Conference On Science, Technology, And Environment (ulicoste) 2021
Investigation of the vibrational spectral and electronic properties for ZnxBe7-xO7 wurtzoid via DFT approximation
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Publication Date
Mon Oct 30 2023
Journal Name
Digest Journal Of Nanomaterials And Biostructures
Concentration effect on the vibrational and electronic properties of MgXZn7-XO7 wurtzoids nanostructure via DFT
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In the present work, the ternary compound MgxZn7-x O7Wurtzoid with variable Zn and Mg contents was analyzed using density functional theory with B3LYP 6-311G**basis set. The electronic and vibrational properties of MgxZn7-xO7 wurtzoids, were investigated, including energy gaps, bond lengths, spectral properties, such like infrared spectra and Raman. IR and Raman spectra were compared with experimental longitudinal optical modes frequency results. The theoretical results agree well with experiments and previous data. It has been found that the energy gap is increasing with the increased Mg concentration, and that the longitudinal optical position exposes a UV shift movement with an increase in the concentration.

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Publication Date
Wed Aug 09 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
The Study Effect of Addition Magnesia (MgO) on Some Physical and Mechanical Properties for Alumina
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   A reseach is carried out by using Alumina material type α-Al2O3 which has partical size 63μm doped with different percentage weight of MgO (0.1%,0.3%and0.5%) and by using dry press method to prepare the samples ,A force press 50KN used and sintering to 1500oC with   soaking time  of  6 hours.        The physical properties were studied such as "Bulk density ,Porosity and water absorption "also the mechanical properties such as (hardness,compressive strength ), the result shows that the best ratio of maginsa(MgO) added to Alumina (Al2O3)is 0.5%and this  worked to improve   Physical and mechanical properties .

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Publication Date
Fri Oct 24 2014
Journal Name
Journal Of Religion And Health
Cross-Cultural Validation and Psychometric Properties of the Arabic Brief Religious Coping Scale (A-BRCS)
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