Quantum chemical study on the adsorption of megazol drug on the pristine BC3 nanosheet

Xu, PL; Cao, JY; Yin, C; Wang, LT; Wu, L

Cao, JY (corresponding author), Wuhan Inst Technol, Sch Mech & Elect Engn, Wuhan, Hubei, Peoples R China.; Xu, PL (corresponding author), Univ Shanghai Sci & Technol, Coll Sci, Shanghai, Peoples R China.

SUPRAMOLECULAR CHEMISTRY, 2021; 33 (3): 63

Abstract

In order to assess the electrical response of the BC3 nanosheets to megazol, computations according to the density functional theory (DFT) have been d......

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