Abstract
Energetic and structural properties of liquid water have been calculated using molecular dynamics simulations in order to investigate the effect of different formulations of the van der Waals (vdW) interaction on the behaviour of liquid water. In particular, two model potentials, the SPC/E using a Lennard Jones (LJ) function and the AMPF using an Improved Lennard Jones function (ILJ) have been considered. The flexibility of the ILJ function in the AMPF model has also been analysed, proving that its vdW component can match different parametrizations of the electrostatic component.
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