Derives irreducible transformation matrices for all operations of G36 and G36(EM) for ethane and implements generator-based symmetry adaptation in TROVE for variational nuclear-motion calculations.
Rotational analysis of the ν6, ν8, ν3 + ν4 interacting infrared system of C 2D6 between 960 cm −1 and 1180 cm −1
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Transformation Properties under the Operations of the Molecular Symmetry Groups $G_{36}$ and $G_{36}\text{(EM)}$ of Ethane $\text{H}_3\text{CCH}_3$
Derives irreducible transformation matrices for all operations of G36 and G36(EM) for ethane and implements generator-based symmetry adaptation in TROVE for variational nuclear-motion calculations.