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- W2056299761 abstract "Transition structures and energetics for the Cope rearrangements of cis-1,2-divinylcyclopropane, obtained by RHF/6-31G* and MP2(full)/6-31G*//RHF/6-31G* calculations, are reported. Three transition structures (endo—boatlike, chairlike and exo—boatlike) have been located, giving rise to formation of cis,cis-, cis,trans- and trans,trans-1,4-cycloheptadienes, respectively. cis-1,2-Divinylcyclopropane rearranges via an endo-boatlike transition structure and yields the corresponding cis,cis product with higher exothermicity. Formation of severely strained cis,trans- and trans,trans-1,4-cycloheptadienes from this rearrangement is also discussed." @default.
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- W2056299761 date "2003-09-01" @default.
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- W2056299761 title "Transition structures and energetics for the Cope rearrangement of cis-1,2-divinylcyclopropane: an ab initio study" @default.
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- W2056299761 doi "https://doi.org/10.1016/s0166-1280(03)00478-0" @default.
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