In silico rationalisation of selectivity and reactivity in Pd-catalysed C–H activation reactions

Liwei Cao, Mikhail Kabeshov, Steven V. Ley and Alexei A. Lapkin

Beilstein J. Org. Chem. 2020, 16, 1465–1475. https://doi.org/10.3762/bjoc.16.122

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