MNDO and ab initio calculations, in conjunction with the ‘sphere-charge’ technique of charge partition, consistently account for stereochemical preferences in the generations and alkylations of allyl and heteroallyl anions. The conventional localised orbital treatments of these phenomena are shown to be inadequate.
R. J. Elliott and W. G. Richards, J. Chem. Soc., Perkin Trans. 2, 1982, 1005 DOI: 10.1039/P29820001005
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