Vibrational theory of polyatomic molecules. Fundamental frequencies, overtone and combination bands of 235UF6 and 238UF6

It is shown that a refinement of a model for predicting polyatomic vibrational overtone spectra has advantages with respect to conventional normal mode theory in accounting for the spectra (including overtone and combination bands) of “large” molecules such as 235UF6 and 238UF6.