| FAIR Data table for Borate-Catalysed Direct Amidation Reactions of Coordinating Substrates – Mechanistic Insights and New Catalyst Development | |||||
|---|---|---|---|---|---|
| Amine | ΔG amine | ΔG Boroxine | ΔG Complex | ΔΔG | Non-covalent-interactions |
| 2-Aminopyridine | -303.724016 | -2374.670195 | -2678.401853 | -4.8 | Isosurface |
| aClick on any energy to load a 3D-coordinate and DOI for a B3LYP-GD3+BJ/Def2-TZVPP/SCRF model. This table has DOI: 10.14469/hpc/13825 | |||||