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. 2014 Nov 19;3(6):250–255. doi: 10.1002/open.201402025

Table 5.

Free energies of THF-solvated mixed tetramer formation of 1-methoxyallenyllithium with lithium chloride

Method T [K] Free energy [kcal mol−1 per Li]
[LiAln]2[LiCl]2 [LiAln][LiCl]3 [LiAln]3[LiCl]
B3LYP 200 −2.53 −2.27 −1.85
B3LYP 298.15 −4.26 −4.09 −3.30
MP2 200 1.86 2.17 2.47
MP2 298.15 0.126 0.343 1.02