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- W2322671189 abstract "We investigated both light- and heavy-atom tunneling in the rearrangements of a series of cyclopropylcarbenes using canonical variational transition state theory with multidimensional tunneling corrections (CVT/MT) and the Wentzel-Kramers-Brillouin (WKB) formalism. Halogeno- and hydroxy-substituted cyclopropylcarbenes were found not to undergo carbon tunneling owing to wide reaction barriers. However, while carbon tunneling plays a major role in the ring expansion of parent cyclopropylcarbene yielding cyclobutene, cyclopropylmethylcarbene is prone to undergo hydrogen tunneling to give cyclopropylmethylene." @default.
- W2322671189 created "2016-06-24" @default.
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- W2322671189 date "2011-06-08" @default.
- W2322671189 modified "2023-10-18" @default.
- W2322671189 title "Light- and Heavy-Atom Tunneling in Rearrangement Reactions of Cyclopropylcarbenes" @default.
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- W2322671189 doi "https://doi.org/10.1021/ol2013457" @default.
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- W2322671189 hasPublicationYear "2011" @default.
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