A density-functional theory study of the interaction of rimantadine drug molecule with X-doped fullerene (X = B, Al, Ga, Si, Ge, BN, AlN, GaN, SiN, GeN)

This research investigated the interaction of rimantadine (RMT) drug molecule with fullerene C 60 and heterofullerenes through density-functional theory calculations. Heterofullerene was used as a nanomaterial through the introduction of the following dopants into fullerene C 60 : B, Al, Ga, Si, Ge,...

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Veröffentlicht in:	Advances in natural sciences. Nanoscience and nanotechnology 2024-12, Vol.15 (4), p.45017
Hauptverfasser:	Kristiawan, Bambang, Apriati, Yosephine Novita, Nugraheni, Ari Dwi, Sholihun, Sholihun
Format:	Artikel
Sprache:	eng
Schlagworte:	adsorption energy charge transfer heterofullerene rimantadine
Online-Zugang:	Volltext
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