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All gaussian optimization and single-point used for the mechanistic study

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Please use this identifier to cite or link to this collection: DOI: 10.19061/iochem-bd-2-86

This dataset derived results are published in:

Manuscript title: Mechanistic Insights into the Regioselective (3+2) Cycloaddition of Unsymmetrical Cyclopropenones with Elemental Sulfur: Experimental and Computational Studies

Journal: J. Org. Chem.

DOI: 10.1021/acs.joc.5c01955