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We report refined results for the equilibrium constant for water dimerization ( KP), computed as a function of temperature via fully coupled 6D calculation of the canonical (H2O)2 partition function on VRT(ASP-W)III, the most accurate water dimer potential energy surface currently available. Partial pressure isotherms calculated for a range of temperatures and relative humidities indicate that water dimers can exist in sufficient concentrations (e.g., 10 18 m-3 at 30 °C and 100% relative humidity) to affect physical and chemical processes in the atmosphere. The determinations of additional thermodynamic properties (¢G, ¢H, ¢S, CP, and CV) for (H2O)2 are presented, and the role of quasi-bound states in the calculation of KP is discussed at length.

Water Dimers in the Atmosphere II: Results from the VRT(ASP-W)III Potential Surface