DFT_calculations
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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- M06_calculations
