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Parent Diels-Alder Reaction. Bond lengths in Angstroms. a) CASSCF/STO-3G calculated transition structures from Bernardi et al. 1985. CAS2 and CAS1 are in parentheses and lower-level 4-31G basis set calculations are in brackets. b) CASSCF/STO-3G calculated transition structures by Houk et al. 1993.
