Fig. 3: Results of BOMD simulations for 1-3.
RMSD (in Å) versus simulation time (in ps) for the BOMD simulations of [OB-M©B7O7-BO]− (M = Fe, Ru, Os, 1–3) at the PBE/DZVP level and 1500 K.
Fig. 3: Results of BOMD simulations for 1-3. | Communications Chemistry
