Force field analysis for linear molecules
For linear molecules the 3N representation
depends only on the number of atoms. The option force field analysis constructs the
3N representation and determines
vib. Thereupon the
symmetry properties of higher powers of vib
up to the quartic force field are calculated.
Last update Mai, 23rd 2018 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement