Fig. 5. Spatial resolution of hydration thermodynamics around 17 and 2. Panels A and B show isocontours for density (red: ρwat > 2.33 bulk density, blue: ρwat < 0.5 bulk density). Panels C and D show isocontours for regions where water is enthalpically stabilised with respect to bulk water (red: ΔHw < –0.0055 kcal mol–1 A–3). Panels E and F show isocontours for regions where water is entropically destabilised with respect to bulk water (blue: –TΔSw > 0.0033 kcal mol–1 A–3). Panels G and H show isocontours for regions where water is more stable than bulk water (red: ΔGw < –0.0055 kcal mol–1 A–3).
