Browsing Matematik ve Fen Bilimleri Eğitimi Bölümü Makale Koleksiyonu by Subject "Fluorination Fluorinated fullerenes B12N12 C60 Drug delivery Density functional theory"
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Fluorinated carbon and boron nitride fullerenes for drug Delivery: Computational study of structure and adsorption
(Elsevier, 1 May 2022)We applied a genetic algorithm combined with the B3LYP/6-311G** approach to determine the structures of low-energy isomers of partially fluorinated fullerenes, the number of which is combinatorically huge. We found that ...