Theoretical analysis of the Cope rearran
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Shogo Sakai
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Article
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2000
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John Wiley and Sons
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English
β 250 KB
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The reaction mechanisms via the transition states of a loose chair, a loose boat, and a Dewar type for the Cope rearrangement of 1,5-hexadiene have been studied by a CiLC-IRC analysis on the basis of a complete active space self-consistent field (CASSCF) molecular orbital (MO) method. The CiLC-IRC a