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- W2299102373 abstract "Fullerene molecules are created entirely of carbon and have a highly unusual attributes. The one of the fullerene derivatives are heterofullerenes when one or more carbon atoms that form the fullerene carbon cage are replaced by a non-carbon atom, i.e., a heteroatom. The aim of the study was to determine the effect of the aromatic compound (benzene) on the boron, silicon and sulfur fullerene C 60 hetero derivatives stability. The chosen heteroatoms were occupied only one ring of one type. The following complexes have been studied: C 6 H 6 @C 54 B 6 , C 6 H 6 @C 55 B 5 , C 6 H 6 @C 54 Si 6 , C 6 H 6 @C 55 Si 5 , C 6 H 6 @C 54 S 6 and C 6 H 6 @C 55 S 5 . The energies of stabilization ( ΔE stab . ), deformation ( ΔE def ) and interaction ( ΔE int. ) as well as absolute energy ( ΔE ) of each examined heterofullerens C 60 and their complexes with benzene were calculated with the use of the molecular modeling technique. The least amount of fullerene's cage distortion was characterized boron derivatives of fullerene C 60 and their endohedral complexes. The calculation suggests that those systems could exist despite positive energies values and it lets assume the possibility of using them as drug carriers." @default.
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- W2299102373 date "2016-03-16" @default.
- W2299102373 modified "2023-09-24" @default.
- W2299102373 title "Possibility of closing benzene structure inside hetero-derivatives of fullerene C60 as indicator of using them as the carriers of drugs containing benzene ring" @default.
- W2299102373 doi "https://doi.org/10.7287/peerj.preprints.1865v1" @default.
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