Although the production of H3SiO4 -involved bond breaking and formation between atom centers that were not initially assigned the higher basis set, and no reassignment of atom centers to the higher basis set was deemed necessary. This was decided because the reassignment procedure in the previous section (pure water case) did not significantly modify the reaction direction or the optimized geometries and, therefore, it is surmised that the additional computational effort of altering the atom centers of the basis sets was unnecessary as it would not change the general findings regarding OSAZ reactivity.