Table 2 Average aqueous-phase effects on the activation free energy (ΔΔG^act = ΔG^act,liq − ΔG^act,gas) as well as three solvation effect descriptors for the O–H and C–H bond cleavages of ethylene glycol over the (111) surface facet of six transition metals at 423 K (see Table 1 for 95% confidence intervals).

Cleavage	Surface	ΔΔG^act, eV	ΔG^act,gas, eV	H-bond	MC, e	BC, e
O–H	Ni	−0.21	0.70	0.99	0.64	−0.61
	Pd	−0.24	0.76	0.34	0.13	−0.36
	Pt	−0.45	0.68	0.54	−0.10	−0.24
	Cu	−0.55	1.08	0.77	0.69	−0.74
	Ag	−0.41	1.63	0.92	0.78	−0.77
	Au	−0.12	1.67	0.95	0.62	−0.63
C–H	Ni	−0.34	0.79	0.26	0.41	−0.36
	Pd	−0.02	0.83	−0.26	−0.03	0.06
	Pt	−0.15	0.71	0.12	0.08	0.03
	Cu	−0.37	1.43	0.21	0.53	−0.46
	Ag	−0.34	1.91	−0.27	0.28	−0.32
	Au	−0.26	1.69	−0.38	0.06	−0.12

ΔG^act,gas is the free energy of activation in vapor phase, H-bond denotes the change in mean of total hydrogen bonding (acceptor + donor) going from RS to TS, MC (molecular charge transfer) represents the change in the absolute sum of partial charges on the reacting moiety going from RS to TS, and finally BC (cleaving-bond charge transfer) is the change in sum of partial charges on the cleaving bond atoms (see Supplementary Table 5 for partial charges) going from RS to TS.

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