To further explore the temperature-induced changes in the dynamics of the system, an analysis of the OCCO dihedral angles of sorbitol in the glassy state was performed at a number of temperatures. The results, shown in Figure , show that there exist three distinct structural features corresponding to dihedral angles of approximately 60 • , 180 • , and 300 • , with sub-maxima within the regions emerging as the temperature is decreased (Figure ), in agreement with a previous report . It is significant that the onset of the localised sub-regions occurs near 260 K, corresponding to the T gα of sorbitol, while significant localisation occurs near 180 K, corresponding to the T gβ of sorbitol. An analysis of the time-evolution of dihedral angles in glassy sorbitol helps to uncover the changes in atomic dynamics that occur as a function of temperature in such disordered molecular solids. For instance, low-temperature simulations (T < T gβ ) show only smallmagnitude oscillations of each dihedral angle about its respective average value, with little to no structural rearrangement occurring, implying that the molecules are confined to the sub-minima in the PES. However, as the temperature is increased above T gβ and through T gα , the magnitude of the oscillations increases and fluctuations in the sub-minima populations become increasingly prevalent, as shown in the average dihedral angle standard deviation shown in Figure (b). Additionally, above T gα , there are an increasing number of large-scale conformational changes, evidenced by jumps between the principal dihedral angle basins over the course of the simulation (Figure ). This is direct evidence confirming previous theories related to dihedral-angle changes determined by FTIR and NMR studies, where large changes in absorption corresponding to dihedral angle vibrational motions were observed as a function of temperature .