“…The most obvious example of this is the density profile, which exhibits a transition from one bulk density to the other across a relatively narrow interfacial region 9,10,[13][14][15][16][17][18][19][20][21] . Other properties have been calculated for several water/organic interfaces, including radial distributions functions (RDFs) 10,15,17,19 , hydrogen bonds 9,10,[13][14][15][17][18][19]21 , molecular orientations 9,10,[13][14][15][17][18][19][20][21][22][23][24] and self-diffusion coefficients 10,[13][14][15]23 . For this purpose, the simulation box is usually divided in slices parallel to the interfacial plane and properties are computed as a function of distance to the interface.…”