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Transition structures leading to (R)-3-oxacyclopentanol (A), (S)-3-oxacyclopentanol (B), (R)-3-thiacyclopentanol (C), and (S)-3-thiacyclopentanol (D), calculated with CPCM(H2O)/M062X/6–311+G(d,p)//TPSS/6–31G(d). Activation free energies (ΔG‡) are given in kcal mol−1; distances, in Å.
