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Free energies of THF-solvated mixed dimer and mixed trimer formation of 1-methoxyallenyllithium with lithium chloride
| Method | T [K] | Free energy [kcal mol−1 per Li] | ||
|---|---|---|---|---|
| [LiAln][LiCl] | [LiAln][LiCl]2 | [LiAln]2[LiCl] | ||
| B3LYP | 200 | −0.328 | 0.676 | −0.349 |
| B3LYP | 298.15 | −0.621 | −1.63 | −2.67 |
| MP2 | 200 | −0.215 | 8.76 | 8.37 |
| MP2 | 298.15 | −0.507 | 6.45 | 6.05 |
