John E. Kilpatrick

Energy Levels and Thermodynamic Functions for Molecules with Internal Rotation. III. Compound Rotation

A method is given for calculating the elements of the kinetic energy matrix for rotation for any molecule. The treatment includes the effects due to any number of linked rotating groups, balanced or unbalanced. In a simple case these equations reduce to the simpler ones of the two previous papers of this series. This rotational matrix is then converted into the matrix of the internal rotations. The reduced moments of inertia that form the latter are then used with the methods of the previous papers of this series to calculate energy levels and thermodynamic functions.