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Free energies of THF-solvated mixed tetramer formation from the mixed dimer
| Method | T [K] | Free energy [kcal mol−1] | ||
|---|---|---|---|---|
| [LiAln]2[LiCl]2 | [LiAln][LiCl]3 | [LiAln]3[LiCl] | ||
| B3LYP | 200 | −8.83 | −8.42 | −6.74 |
| B3LYP | 298.15 | −14.6 | −15.1 | −12.0 |
| MP2 | 200 | 8.28 | 9.11 | 10.3 |
| MP2 | 298.15 | 2.53 | 2.39 | 5.11 |
