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(A) λ trajectories from simulations in water using GSLD for alchemical changes benzene to phenol (top), benzene to benzaldehyde (middle), and phenol to benzaldehyde (bottom). (B) Estimated alchemical free energy changes in water using empirical estimators with different cutoff values and the Rao-Blackwell estimator for alchemical changes benzene to phenol (top), benzene to benzaldehyde (middle), and phenol to benzaldehyde (bottom).
