Molecule Types Linear Molecules | <Prev Next> |
Note that only nuclei not explicitly simulated with nucleus
objects should be included in calculating the SymWt and AsymWt statistical weights. If all
equivalent nuclei have been explicitly included, then the
statistical weights should be calculated as if there were an
additional pair of equivalent spin zero nuclei, which will mean
AsymWt must be set to zero. A simple
check for correct operation is to compare the rotational
structure with and without the nuclei explicitly included, with
the weights calculated in the latter case including all nuclei.
If the linewidth is set somewhat larger than the width of the
hyperfine structure the spectra should appear identical.
For interactions between nuclei, see the Nuclear Spin - Nuclear Spin Coupling.