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Table 4
Transition state energies(*) ΔH# (kcal mol−1) with respect to the energies of the reactants (OH)ads, (H2)ads, and (OH+H2)ads as a function of the number (n) of H2O in the supporting cluster.
| Cluster (n) | 1 | 2 | 3 | 24(1-L.) | 48(2-L.) | ∞ |
|---|---|---|---|---|---|---|
| ER(OH) | 4.7 | 4.6 | 4.5 | 4.1 | 3.5 | 4.1 |
| ER(H2) | –0.4 | –4.6 | –5.3 | –7.0 | –7.4 | –10.3 |
| LH(OH+H2) | 5.4 | 5.0 | 4.9 | 4.7 | 3.9 | 5.1 |
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