Study the Nature of the Interaction Between 5-Fluorouracil Anti-cancer Drug and Zinc Oxide Nanocage

We proposed a quantum chemical calculation to investigate the nature of the adsorption of 5-Fluorouracil (5FU) on the zinc oxide (ZnO) nanocage. For this purpose, different geometries of this drug were considered to be adsorbed over the nanocage. The interaction energy is found to be quite favorable...

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Veröffentlicht in:	Brazilian journal of physics 2022-04, Vol.52 (2), Article 53
Hauptverfasser:	Li, Huiying, Heravi, Mohammad Reza Poor, Ebadi, Abdol Ghaffar, Ahmadi, Sheida, Sarkar, A.
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption Binding sites Charge transfer Electrical resistivity General and Applied Physics Molecular orbitals Physics Physics and Astronomy Quantum chemistry State (computer science) Surface chemistry Zinc oxide Zinc oxides
Online-Zugang:	Volltext
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