Figure 5.
Density (ρ) and heat of vaporization (ΔHvap) of methanol as a function of temperature from MD simulations using the optimized polizable force field optimized from the DFMP2(fc)/jul-cc-pVDZ and DFMP2(fc)/jul-cc-pVTZ data. For comparison the results from experiments and the original AMOEBA force field (amoeba09.prm) are also shown.