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Hydrogen bond lengths and association energies in complexes Figure 4.
| Associate Model | E∆, kcal/mol | Hydrogen Bond Lengths (Å) | |
|---|---|---|---|
| MEA ⋯ 2H2O | −9.11 | MEA⋯H2O | 1.816 (O1-H13) |
| H2O⋯H2O | 2.539 (O15-H11) | ||
| 3MEA⋯3H2O | −17.87 | MEA⋯H2O | 2007 (N4-H42) |
| 1.987 (O1-H13) | |||
| 1.952 (O29-H14) | |||
| 1.968 (O15-H41) | |||
| 1.878 (O26-H19) | |||
| H2O⋯H2O | 1.904 (O12-H28) | ||
| 3.092 (O26-H14) | |||
| MEA⋯MEA | 2.022 (O15-H33) | ||
