Fig. 2 | Communications Chemistry

Fig. 2

From: Computational polymorph screening reveals late-appearing and poorly-soluble form of rotigotine

Fig. 2

Relative stabilities of rotigotine. a Cumulative enthalpy curves of form I and II obtained from differential scanning calorimetry (DSC) measurements relative to the level at 140 °C. b Relative stability for form I, II, and predicted form III calculated with different methods; c Relative stability as a function of phonon wave number for forms I, II, and predicted form III per molecule w.r.t. the thermodynamically most stable form II based on PBE0 + MBD + Fvib. Uvib and Fvib describe the vibrational internal energy and the vibrational free energy, respectively

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