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NMR

Select the 'NMR' command from the 'Spectra' menu. This is only possible if ADF has calculated the NMR shifts.

On the left side, your molecule will be shown. On the right sight, you will get a graph showing the NMR shieldings.

The Standard View menu will be available in the menu. It allows you to show atom names and so on. You will also have a Nucleus menu. That menu is used to select which NMR shieldings to display: you have to select this per element.

When you mouse over one of the peaks, you will get a balloon with detailed information. Clicking on a peak will select the corresponding atoms on the left side. Selecting one or more atoms will mark the corresponding peaks in the spectrum.

Currently the effect of spin-spin coupling is not included in the spectrum, even when you have calculated these.

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