Fig. 4: The formation energy of several intermediate and product molecules.

The RMS error of Gen1.9 NNRF and ReaxFFs with respect to DFT in the inset. (^acccbdb database from ref. ³⁹, ^bReaxFFs formation energies from ref. ³, ^cexperimental formation energies from NIST database in ref. ⁷⁶, ^dactive thermochemical tables in ref. ⁷⁷).