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Conformational and electronic properties of hydroquinone adsorption on C60 fullerenes: Doping atom, solvent and basis set effects

Ergurhan, Orkun; Parlak, Cemal; Alver, Özgür; Şenyel, Mustafa (Elsevier Science BV, 2018)

Hydroquinone (HQ) is widely used as a reducing agent with well-known antioxidant properties. The interaction with pristine and doped fullerenes seems to have a promising research field particularly for the drug delivery ...