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39 results for “theoretical calculation”
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Research ArticleOpen accessIn the abstractMODELING OF PETROLEUM ENGINEERS DESIGN-TECHNOLOGICAL COMPETENCE FORMING IN PHYSICAL-MATHEMATICAL DISCIPLINES STUDYING PROCESSIlsiyar Mingatinovna Zaripova, Albina Rafisovna Shaidullina, Alla Evgenyevna Upshinskaya et al.The essence and contents of students’ project technical competence as a synthesis of design and technical competencies, including special knowledge, abilities, skills and personal qualities which are necessary for their future professional duties effective implementation, particular, for engineering projects successful implementation, requiring technical calculations performing and abilities, allowing to operate in professional activity effectively, to be guided in work situations … …American Journal of Applied Sciences, Vol. 11, Issue 7 · 19 Apr 2014 · 6,937 accessesView PDFCite
Research ArticleOpen accessIn the abstractMinimization of ℓ2-Norm of the KSOR OperatorA. I. Alzaki, I. K. YoussefWe consider the problem of minimizing the ℓ2-norm of the KSOR operator when solving a linear systems of the form AX = b where, A = I +B (TJ = -B, is the Jacobi iteration matrix), B is skew symmetric matrix. Based on the eigenvalue functional relations given for the KSOR method, we find optimal values of the relaxation parameter … …Journal of Mathematics and Statistics, Vol. 8, Issue 4 · 8 Jan 2013 · 7,083 accessesView PDFCite
Research ArticleOpen accessIn the abstractIntrahydrogen Bonding and Transition States Between Enol and Enethiol Tautomers in β-ThioxoketonesBahjat A. Saeed, Rita S. Elias, Ebraheem Abdu MusadProblem statement: Hydrogen bonding is one of the most important concepts in chemistry because it is crucial to understand many different interactions both in gas phase and in condensed media. A particular subset is presented by the intramolecular hydrogen bonds where two ends of the same molecule interact, resulting in a ringlike structure. Approach: The study involved theoretical investigation of … …American Journal of Applied Sciences, Vol. 8, Issue 8 · 18 Jul 2011 · 7,452 accessesView PDFCite
Research ArticleOpen accessIn the abstractAn Application of Univariate Statistics to Hotelling's T2Dr. A. PolymenisProblem statement: Hotelling's T2 statistic has been well documented in the existing literature and exact as well as asymptotic results have been obtained. In the present article, we focus on an important particular case of T2 and we note that, there is no clear way to show, how univariate results, used in the theory of Student’s t statistic, could be … …Journal of Mathematics and Statistics, Vol. 7, Issue 1 · 25 Mar 2011 · 7,660 accessesView PDFCite
Research ArticleOpen accessIn the abstractThe Investigation of 1H NMR Spectra of 2,3-Dihydro-4-Pyridinones Derived from BisdemethoxycurcuminWisam A. Radhi, Bahjat A. SaeedProblem statement: The studied dihydropyridones were synthesized via microwave assisted reaction of bisdemethoxycurcumin and amines or amine acetates which is new approach in the synthesis of this important class of compounds and the deep study of their NMR spectra seems reasonable. Approach: 1H NMR spectra of dihydropyridones derived from curcumin were discussed and their structures were elucidated accordingly. Results: The … …American Journal of Applied Sciences, Vol. 7, Issue 8 · 31 Aug 2010 · 7,186 accessesView PDFCite
Research ArticleOpen accessIn the abstractCyclic Volta Metric Study of Alizarin Yellow R and Some Analogous Arylazo Compounds in DMF and in Aqueous MediaHossnia MohranThe Cyclic Voltammetry (CV) was used to investigate the electrochemical behavior of alizarin yellow R and some analogous arylazo compounds having almost the same central azo group. For this purpose, the substances chosen for the measurements are Alizarin Yellow R (AYR), Eriochrome Black T (EBT) and Sudan II (SUD II). The investigations were carried out at room temperature (298 K) … …American Journal of Applied Sciences, Vol. 2, Issue 12 · 31 Dec 2005 · 7,235 accessesView PDFCite
Research ArticleOpen accessIn the abstractPhotocurrent and Photoluminescence Investigations of GaInNAs and GaInNAs(Sb) Quantum Wells Grown by Molecular Beam EpitaxyS. Ben Bouzid, F. Bousbih, A Hamdouni et al.We have investigated photocurrent (PC) and photoluminescence (PL) in sequentially grown GaInNAs/GaAs and GaInNAs(Sb)/GaAsSbN quantum wells. Photocurrent transitions are analyzed by theoretical calculations using envelope function formalism taking into account the strain effect and the strong coupling between nitrogen localized state and the GaInAs band gap. The results are consistent with a type I band alignment and a conduction band … …American Journal of Applied Sciences, Vol. 2, Issue 9 · 30 Sep 2005 · 6,475 accessesView PDFCite
Research ArticleOpen accessAll words, across the recordPhysical Properties of Phenol Compound: Semi-empirical Calculation of Substituent Effects [Part One]Ammar A. Ibrahim, Eid A. AbdalrazaqProblem statement: Physical properties of phenol compound such as steric energy, charge of oxygen, ionization potential, dipole moment, LUMO and bond length have been calculated. Approach: All molecular geometries were minimized by quantum mechanic especially at (AM1) method was used to investigate the effect of a variety of substituents on the phenol (H, o-Cl, p-Cl, m-Cl, o-CH3, m-CH3, p-CH3, o-NH2, … …American Journal of Applied Sciences, Vol. 6, Issue 7 · 31 Jul 2009 · 7,365 accessesView PDFCite
Research ArticleOpen accessAll words, across the recordComputer Aid Screening for Potential Antimalarial Choroquinone Compounds as Covid 19 Utilizing Computational Calculations and Molecular Docking StudyAsmaa Aboelnaga, Asmaa M. Fahim, Taghreed H. EL-SayedClick reaction of 4,7-dichloroquinoline (1) with thiosemicarbazide (2) to afford the corresponding 2-(7-chloroquinolin-4-yl)thiosemicarbazide (3) utilized ultrasonic irradiation which can cyclized easily with ethylacetoacetate to give the 3-(7-chloroquinolin-4-ylamino)-tetrahydro-6-methyl-2-thioxopyrimidin-4(1H)-one (4) via nucleophilic substitution reaction. The synthesized compounds was examined in vitro antimalarial activity with IC50 = 11.92, 25.37 μg/mL against chloroquinone drug. Furthermore, the theoretical investigation of most active compounds CQT and … …OnLine Journal of Biological Sciences, Vol. 20, Issue 4 · 30 Nov 2020 · 6,568 accessesView PDFCite