Enhancing chemical synthesis planning: automated quantum mechanics-based regioselectivity prediction for C–H activation with directing groups

Julius Seumer, Nicolai Ree and Jan H. Jensen
Beilstein J. Org. Chem. 2025, 21, 1171–1182. https://doi.org/10.3762/bjoc.21.94

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Enhancing chemical synthesis planning: automated quantum mechanics-based regioselectivity prediction for C–H activation with directing groups
Julius Seumer, Nicolai Ree and Jan H. Jensen
Beilstein J. Org. Chem. 2025, 21, 1171–1182. https://doi.org/10.3762/bjoc.21.94

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Seumer, J.; Ree, N.; Jensen, J. H. Beilstein J. Org. Chem. 2025, 21, 1171–1182. doi:10.3762/bjoc.21.94

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