On the calculation of rate constants of the small cyclic water cluster by anharmonic RRKM theory

The rate constants for the concerted exchange reaction of the small cyclic water clusters (H2O)n(3, 4) were calculated with the YL method. The anharmonic effect on the concerted hydrogen exchange reaction was investegated. The results are in reasonable agreement with the results given by Loerting et al. And the anharmonic effect is not significant for the concerted hydrogen exchange reaction of (H2O)n(3, 4) . The YL method is suitable for calculating the rate constants of such small cyclic water cluster.