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. 2015 Oct 16;7(2):1082–1092. doi: 10.1039/c5sc03088a

Fig. 9. Error of parameterisation in kJ mol–1. Error is reduced to less than 1 kJ mol–1, but is highly non-uniform. Parameterisation is recommended for convenient application over wide T–P ranges; the full equilibrium solution is required to correctly capture fine detail.

Fig. 9