In the attempt to obtain a more precise estimate of the free-energy barrier of the key reaction-step, i.e., the SV formation, we adopted coordination-based path collective variables metadynamics, since this approach allows sampling reaction paths between Figure . Mechanism b for the trans-functionalization at the BLG-methanol interface at 6.8 GPa observed in SPRINT metadynamics simulations. On the top, MD snapshots associated to the explored reaction mechanisms. The color code is the same as in Fig. . a specific pair of reactants and products (see the supporting information for details). SV formation in the b-mechanism (transition I-III in Fig. ) has been considered: structures I and III were employed to define the reference coordination patterns.