DFT analysis of valproic acid adsorption onto Al-12/B-12-N-12/P-12 nanocages with solvent effects

Al-Otaibi, JS; Mary, YS; Mary, YS

Al-Otaibi, JS (通讯作者),Princess Nourah Bint Abdulrahman Univ, Coll Sci, Dept Chem, POB 84428, Riyadh 11671, Saudi Arabia.

JOURNAL OF MOLECULAR MODELING, 2022; 28 (4):

Abstract

Using density functional theory, the adsorption of valproic acid onto the surface of fullerene-like nanocages was investigated. Valproic acid interact......

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