 |
    
NUC
The (sub) key Nuc
determines for which nuclei the chemical shifts are computed. If this (sub) key
is omitted from the NMR block, the
calculations are carried out for all nuclei. Else you may use this options by
simply typing Nuc in the NMR
block (without any further data); this means: for no nuclei at all.
Alternatively you may type the index of the atom(s) you want to see analyzed.
Default 'all' (i.e. as for omitting this sub key).
|