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Bimolecular reaction rate constant for the reaction SO3 +nH2O → SO3·nH2O → H2SO4·(n − 1)H2O as a function of the temperature. Experimental data are taken directly from Jayne et al. (47) and Lovejoy et al. (48). Calculated values were obtained from B3LYP/6-31+G(d) hypersurfaces and single-level dynamics in the microcanonical optimized multidimensional tunneling framework of variational transition state theory. The preassociation was considered as described in the text.
