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MC parameters for studied major constituents of EuEO on Fe (110).
| Systems | Total Energy (kcal/mol) |
Eads (Inhibitor) (kcal/mol) |
EH2O (Inhibitor) (kcal/mol) |
|---|---|---|---|
| Fe(110)/a/100H2O | −2803.122 | −4980.527 | −35.61 |
| Fe(110)/b/100H2O | −2833.019 | −5015.946 | −33.80 |
| Fe(110)/c/100H2O | −2658.588 | −4944.691 | −33.13 |
