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Figure 4
FES reweighted as a function of N1 and N2, indicating the number of molecules in a form I and form II structure, respectively. Landmarks highlight the position in the CVs space of the melt (circle), polymorph I (square) and polymorph II (triangle) configurations. The transitions between the three basins of the FES described in the text are reported in the upper triangle. A nucleus in which polymorph I (blue molecules) and II (green molecules) sub-domains coexist is also shown. Reproduced with permission from Giberti et al. (2015BB26). Copyright (2015) Elsevier.

Volume 2| Part 2| February 2015| Pages 256-266
ISSN: 2052-2525