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- W2013770036 abstract "On the basis of KIE experiments, the ring opening of cis-bicyclo[4.2.0.]oct-7-ene has been suggested as an anti-Woodward−Hoffmann reaction candidate. We hereby report the results of a high-level computational study of the alternate reaction pathways which proves that the energy profiles show a clear preference for the conrotatory (W−H allowed) ring opening followed by double-bond isomerization. Computed KIE values for the aforementioned mechanism are in good agreement with the experimental values." @default.
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- W2013770036 date "2006-04-21" @default.
- W2013770036 modified "2023-09-25" @default.
- W2013770036 title "Computational Study and Analysis of the Kinetic Isotope Effects of the Rearrangement of cis-Bicyclo[4.2.0]oct-7-ene to cis,cis-Cycloocta-1,3-diene" @default.
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- W2013770036 doi "https://doi.org/10.1021/ol060465f" @default.
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