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| Structures | Adsorption energy | Rigid adsorption energy | Deformation energy | Compound dEad/dNi | H2O dEad/dNi |
|---|---|---|---|---|---|
| SS304 (111)/inhibitor SCP1/H2O | −3332.977 | −3522.547 | 189.57 | −265.58 | −11.08 |
| SS304 (111)/inhibitor SCP2/H2O | −3178.027 | −3347.687 | 169.66 | −223.79 | −9.87 |
