New NMR tutorial

Check out our new GUI tutorial on NMR chemical shifts and spin-spin coupling constants!

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.

More NMR:

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Key concepts