Despite the good agreement with experimental data, it should be noted that our assumptions are based on strong simplifications. In particular, early transition states and less distorted molecular geometries when binding to the catalyst are crucial for valid application of the conceptual DFT approach. In accordance, one can assume deviations from our considerations in terms of significant molecular rearrangements upon binding, although the general trends might still be valid. Nevertheless, it should be pointed out that the proposed method should only be used for qualitative screening of catalysts. In particular, specifically the electronic trends for suitable catalysts of certain reactions to fulfil the Sabatier principle can be identified.