This approach to estimating the characteristic transition timescale (τ ) for all key transitions characterizing the dynamics in the MIMs studied herein was adopted for all cases except for system 2, where the dynamics of the system was so fast that the transitions occur on timescales accessible even via classical MD. In this specific case, we thus ran multiple unbiased MD simulations to statistically sample all relevant transitions and then extracted the associated characteristic transition times. The transitions' characteristic time/kinetic rates were then used to estimate the associated free-energy barriers ∆G ‡ via the Eyring equation.