Abstract
We analyze the dissociation dynamics of sodium chloride by stochastic transition path sampling. After an ensemble of reactive paths linking stable states of aqueous NaCl is constructed, we apply a probability criterion to characterize the transition state of the reaction. The method shows that there is good agreement between our results and those reported recently by P.L. Geissler et al. [J. Phys. Chem. B 103 (1999) 3706] using Newtonian transition path sampling. In addition, we define a dipole–dipole correlation function which is found to be strongly correlated with the interionic distance.
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