Single point energy calculations, lithium

A theoretical study on the model Peterson reaction of acetone and a lithium enolate 30 derived from methyl a-(trimethylsilyl)acetate has recently been reported (Scheme 2.20) [46]. The geometries were optimized by means of density functional calculations with the B3LYP hybrid functional and the 6-31G basis set, and the single-point energies were calculated with various sized basis sets (6-31G, 6-311+G, 6-311- -G(2df,2p)) at the MP2 correlated level. 

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