Konu "DFT" için Makine Mühendisliği Bölümü Koleksiyonu listeleme
Toplam kayıt 2, listelenen: 1-2
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First-principles calculations to investigate electronic, magnetic and half-metallic ferromagnetic properties of full-Heusler Mn2OsSn
(Taylor and Francis, 2023)The structural, electrical, magnetic, and elastic characteristics of the Mn2OsSn full-Heusler compound have all been studied using the full potential linearised augmented plane (FP-LAPW) method. The study's exchange and ... -
Synthesis, Characterization, and DFT Calculations of a New Sulfamethoxazole Schiff Base and Its Metal Complexes
(MDPI, 2023)A new Schiff base, 4-((1E,2E)-3-(furan-2-yl)allylidene)amino)-N-(5-methylisoxazol-3-yl) benzene-sulfonamide (L), was synthesized by thermal condensation of 3-(2-furyl)acrolein and sulfamethoxazole (SMX), and the furan ...