M06 calculations

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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 ?-allyl-Pd(ii) intermediate

Journal: Catal. Sci. Technol.

DOI: 10.1039/d2cy01506d

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