Table 1. Calculated and experimental activation energies for AcOH loss.

Method	Energy, kJ mol–1
	Ru		Cu		Pd
Experimental (CID)	113 ± 3		138 ± 5		65 ± 3
	E diss	E TS	E diss	E TS	E diss	E TS
B3LYP-D2	142	64	156	139	71	83
B3LYP-D3	—	—	152	143	64	82
B3LYP	103	67	111	140	29	74