Fig. 6. (a) Heat capacity (Cp) for a molecular crystal of naphthalene: from thermodynamic measurements (blue curve), calculated from frequencies obtained after NoMoRe (red curve) and estimated by Aree and Bürgi from multi-temperature diffraction data89 (green curve). (b) Difference between Cp measured calorimetrically and Cp estimated with NoMoRe (red curve) or from multi-temperature data (green curve) (reprinted from ref. 90 under the general license agreement of IUCr journals).
