Interaction between drug molecule and inverse spinel surfaces in aqueous solution: Insights from DFT and DMC simulation

Autor: Khnifira, Malika, Boumya, Wafaa, Attarki, Jamal, Soufi, Amal, Sadiq, M'hamed, Achak, Mounia, Barka, Noureddine, Abdennouri, Mohamed
Zdroj: In Computational and Theoretical Chemistry October 2023 1228
Databáze: ScienceDirect