Phonon dispersion in polyadenylic acid

摘要

A study of the normal modes of vibration and their dispersion in polyadenylic acid based on the Urey-Bradley force field is reported. It gives a better interpretation of FTIR spectra as compared with the valence force field. Characteristic features of dispersion curves such as regions of high density-of-states, repulsion, and character mixing of dispersive modes are discussed. Predictive valuzes of heat capacity as a function of temperature are reported.