However, this approach still has some drawbacks. First of all, it requires the calculation of the entropic corrections for multiple configurations along the reaction path, which becomes computationally very costly, especially for large molecules. Second, the obtained entropy data points get increasingly incorrect as the dissociation progresses as we move away from the energy minimum. Third, the fit of the sigmoid function is ambiguous: (i) it is not clear, at which point the entropy should have the maximum increase, that is, where the inflection point of the function is, and (ii) it is not clear how steep the sigmoid function should be.