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D.J. Tantillo, and K.N. Houk J. Org. Chem. 6 1999 3066 These authors recently studied the TSs for the addition-elimination reaction of phenyl acetate (1d) and hydroxide ion at the RHF/6-31+G* level. In the gas phase the reaction is concerted, but when aqueous solvation is considered through PCM and SCI-PCM calculations, the barrier to addition dramatically increases, and a stepwise addition-elimination pathway was predicted
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