Beilstein J. Org. Chem. 2018, 14, 2715–2721. https://doi.org/10.3762/bjoc.14.249
The supporting information shows PES scans comparing DFT-D3 and DFT-TS, scans at different adsorption heights as well as Cartesian coordinates and total energies for the equilibrium structures presented.
Supporting Information File 1: Additional calculational data. | ||
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