Linear free energy profiles are commonly used in mechanistic studies in homogeneous phase. In this context, the application of energy corrections is a standard practice to mitigate the various limitations associated with DFT simulations . These corrections have different origins, such as reference state , quasi-harmonic vibrational , single-point (SP) energy, counterpoise-corrections or entropic corrections , and are crucial for enhancing the accuracy of DFT predictions. However, as the reaction network's complexity escalates, the task of understanding how these corrections influence the overall reaction process becomes increasingly daunting. This complexity and the critical role of corrections were exemplified in our previous investigation of imine condensation between benzaldehyde and n-butylamine in aprotic media . In that study we observed how a bias of 13.38 kJ/mol per computed structure coupled with a reference state correction (from 1 atm to 1 M) was able to bridge the gap between the DFT-derived microkinetic simulation and the experimental concentration vs time values.