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22 results for “theoretical calculations”
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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 · 6,477 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 · 6,570 accessesView PDFCite