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Figure 2
The free energy barriers as computed from metadynamics at different temperatures (circles) are compared to the work of formation of the critical nuclei and as predicted within our extended CNT model (crosses with dashed error bars). A linear fit to the metadynamics data is also shown. Reproduced with permission from Trudu et al. (2006BB75). Copyright (2006) The American Physical Society.

IUCrJ
Volume 2| Part 2| February 2015| Pages 256-266
ISSN: 2052-2525
doi:10.1107/S2052252514027626