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- W2085468960 abstract "The nature of the Boulton−Katritzky rearrangement of (5R)-4-nitrosobenz[c]isoxazole and its anion was studied employing three methodologies: calculation of magnetic properties (magnetic susceptibility, magnetic susceptibility anisotropy, and the nucleus-independent chemical shifts), the natural bonding orbital analysis, and the ACID (anisotropy of the current-induced density) method. The deep analysis of the results indicates a pseudopericyclic character for these reactions despite the aromaticity of the transition states." @default.
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- W2085468960 date "2004-09-21" @default.
- W2085468960 modified "2023-10-18" @default.
- W2085468960 title "A DFT Study of the Boulton−Katritzky Rearrangement of (5<i>R</i>)-4-Nitrosobenz[<i>c</i>]isoxazole and Its Anion: Pseudopericyclic Reactions with Aromatic Transition States" @default.
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- W2085468960 doi "https://doi.org/10.1021/jo0491509" @default.
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