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

Table 1.

Free energies of gas-phase 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 3.22 −2.73 −0.0444
B3LYP 298.15 2.75 −2.47 −0.130
MP2 200 5.27 −2.81 1.00
MP2 298.15 4.80 −2.56 0.915