Check out our new GUI tutorial on NMR chemical shifts and spin-spin coupling constants (requires Amsterdam Modeling Suite 2018)!
Splittings due to the spin-spin couplings can now be displayed and regions of chemical equivalency, e.g. as in freely rotating methyl groups, automatically identified. A one-to-one comparison to experiment is straightforward: Just import any external spectroscopic data directly into the ADFspectra module.
- Check the Tutorial on relativistic NMR calculations
- The webpage of ADF-developer Jochen Autschbach contains an enlightening NMR tutorial on benzene substituent effects.
- What settings are recommended for NMR calculations? (FAQ entry)
Newsletter: tips & tricks, highlights, events
Would you like to keep up to date with the latest developments in the ADF Modeling Suite and the SCM team, learn more about new applications and functionality? Subscribe to our newsletter!Key conceptsNMR spectroscopy tips & tricks