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Density functional theory and molecular dynamics studies on..:

Laudadio, Emiliano ; Mohebbi, Elaheh ; Pavoni, Eleonora...
Colloids and Surfaces A: Physicochemical and Engineering Aspects.  667 (2023)  - p. 131388 , 2023
Link: https://doi.org/10.1016/j.colsurfa.2023.131388