Figure 3.

(a) Comparison between oxygen–oxygen radial distribution functions of liquid water at ambient conditions derived from X-ray diffraction measurements (black)¹⁰⁸ and calculated from molecular dynamics simulations performed with the coarse-grained mW model (blue)¹⁰⁰ and the empirical E3B models (green and orange).^38,107 (b) Comparison between the experimental and calculated temperature dependence of the density of liquid water at ambient pressure. The experimental values (black) are from ref (304).