Combining these data, we estimate the reaction acceleration a for the various host-guest complexes reported in Figure ). We observe that, in this case, the reactivity increases with the crowding in the system. While a ⇠26-fold acceleration is computed for the monoencapsulated case (2 ⇢ 1), a double-encapsulation gives a ⇠64-fold increase for the 2 2 ⇢ 1 system. A dramatic a ⇠ 150 is obtained for the 2 • 3 ⇢ 1 complex. While such estimated a values may differ quantitatively from those obtained from the experiments (this can be expected, given the deviations of such ideal models from realistic systems/conditions), the trends can be still safely compared. Figure shows a remarkable trend between our calculated acceleration data and the experimental ones. This validates our simulation approach.