Following our procedure, we determined the dissociation barriers ∆G ‡ diss for all bond orders and AIM descriptors using the various γ cleave values (Figure ). The resulting calculated values were compared to experimentally determined barriers (Figure ). Comparison with the experimental barrier of ∆G ‡ exp = 10.2 kJ mol -136 suggests that a cutoff value between 1 to 2% is best suited. The analysis shows fairly consistent results with the exception of LBO, which yielded lower barriers. For all descriptors, the dissociation barriers for the water dimer get smaller with increasing γ cleave value. This is not surprising, since a higher value for γ cleave does lead to a smaller bond breaking distance r cleave . From that it follows, that the entropy increases for smaller intramolecular distances, which counteracts the increasing electronic energy.