Theoretical study of the internal elimin
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L. Claes; J.-P. François; M. S. Deleuze
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Article
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2003
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John Wiley and Sons
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English
⚖ 132 KB
## Abstract The gas‐phase internal elimination (__E__~__i__~) reaction of ethyl xanthate (CH~3~‐CH~2~‐S‐CS‐O‐CH~3~) has been investigated by means of Hartree–Fock, second‐order Møller–Plesset, and density functional theory (DFT) using the Becke three‐parameter Lee–Yang–Parr (B3LYP) functional and t