DFT characterization of the mechanism for Staudinger/Aza-Wittig tandem organocatalysis

This paper describes computationally a catalytic Staudinger/Aza-Wittig reaction by the means of density functional theory (M06-2X-D3/def2-TZVP/SMD in dioxane).

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The original dataset source can be reviewed here

This dataset derived results are published in:

Manuscript title: DFT characterization of the mechanism for Staudinger/Aza-Wittig tandem organocatalysis

Journal: Tetrahedron

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