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Eads, Ebinding and dEads/dNi energies at 308 K for protonated SSBs and unpronated SSBH+ adsorbed molecules. All energies are in kcal.mol−1.
| Eads | Ebinding | dEads/dNinh | |
|---|---|---|---|
| SSBO/Fe(110) | −5144.103 | 5144.103 | −87.524 |
| SSBM/Fe(110) | −7148.331 | 7148.331 | −65.479 |
| SSBP/Fe(110) | −6920.170 | 6920.170 | −79.895 |
| SSBOH+/Fe(110) | −644.008 | 644.008 | −487.102 |
| SSBMH+/Fe(110) | −1148.125 | 1148.125 | −391.012 |
| SSBPH+/Fe(110) | −1020.119 | 1020.119 | −397.147 |
