The other 49 BDEs are from small alcohol molecules (Figure ) not present in our calibration data set. These BDEs at room temperature (D 298 ) were computed for our familiar reaction scheme by summing D 0 and the thermal correction difference in the relaxed product states (E thermal (AH n ) and E thermal (BH m )) and the reactants(E thermal (H n A ∼ BH m )):