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. 2020 Apr 1;11(16):4194–4203. doi: 10.1039/c9sc05612b

(A) Activation energy for AB hydrolysis in the reaction pathway in Fig. 2 and (B) adsorption energy of AB on (a) Rh24 or (b) Rh12Cu12 clusters.

Clusters (A) Activation Energy (B) Adsorption Energy of AB/kcal mol−1
First attack of H2O (step 1)/kcal mol−1 Second attack of H2O (step 2)/kcal mol−1
a Rh24 38.5 10.4 14.1
b Rh12Cu12 24.8 15.0 22.1