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. 2019 Jan 4;7:686. Originally published 2018 May 31. [Version 2] doi: 10.12688/f1000research.14960.2

Table 2. Absolute free energy components for polymorph I of acetylsalicylic acid (ASA) at 298.15 K, in k B T.

Acetylsalicylic Acid
A EM 48(3)
Δ A id→ IEM −167.316(1) (TI, 118 states)
−167.07(3) (MBAR, 118 states)
Δ A IEM→ solid −101.656(2) (TI, 600 states)
−101.644(2) (MBAR, 600 states)