Fig. 10: The overall kinetic activation barriers of RDX system.
From: Neural network reactive force field for C, H, N, and O systems
Comparison of global activation barrier (in kcal mol−1) between Gen1.9 NNRF and the four parameterizations of ReaxFF (shown in top left of the figure). ReaxFF-lg and ReaxFF-iw have much lower barriers compared to the Gen1.9 NNRF, ReaxFF-2014, and ReaxFF-2018 which are very similar.
