Fig. 2. Analysis of the hydrogen bond network. (a) Schematic representation of the relevant variables: the OD–OA–HD hydrogen bond angle α, and the proton transfer coordinate, v = dODHD – dOAHD. The color scale for the probability heat maps is also shown. Panels (b)–(d) are the joint probability distributions of α and ν for the different functionals. Panel (e) shows the log-probability distributions of just the proton transfer coordinate.
