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- W2023226641 abstract "The cycloaddition reaction of ketene and methylenimine, leading to 2-azetidinone, has been studied theoretically by RHF/3-21G and IRC. This reaction is believed to be nonsynchronous and concerted, taking place through a twisted transition state. Four π orbitals are involved in this reaction, which is a “2 × [1 + 1]”-type cycloaddition. In the course of the reaction, rotation of the methylene group instead of oxygen in ketene was ascertained. The activated barrier is calculated to be 33.9 kcal/mol. © 1992 John Wiley & Sons, Inc." @default.
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- W2023226641 date "1992-08-05" @default.
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- W2023226641 title "Ab initio study on the mechanism of cycloaddition reaction of ketene with methylenimine: A new reaction scheme" @default.
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- W2023226641 doi "https://doi.org/10.1002/qua.560430506" @default.
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