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M06 calculations

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Please use this identifier to cite or link to this collection: DOI: 10.19061/iochem-bd-6-183

This dataset derived results are published in:

Manuscript title: DFT computational insight into Pd(0)-catalyzed oxidative cross-coupling of 1,2-allenyl ketones and aryl boronic acids: Pd(ii)-carbenoid intermediate versus π-allyl-Pd(ii) intermediate

Journal: Catal. Sci. Technol.

DOI: 10.1039/d2cy01506d