Molecular dynamics simulations of the interaction between water molecules and aggregates of acetic or propionic acid molecules

B. Radola (1) , Sylvain Picaud (1) , D. Vardanega (1) , P. Jedlovszky

1 UTINAM - Univers, Transport, Interfaces, Nanostructures, Atmosphère et environnement, Molécules (UMR 6213)

Domaines: Chimie-Physique [physics.chem-ph]

B. Radola, Sylvain Picaud, D. Vardanega, P. Jedlovszky. Molecular dynamics simulations of the interaction between water molecules and aggregates of acetic or propionic acid molecules . Journal of Physical Chemistry B, 2015, 119, pp.15662-15674. ⟨10.1021/acs.jpcb.5b08110⟩. ⟨hal-01272247⟩