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. Author manuscript; available in PMC: 2017 Nov 9.
Published in final edited form as: Phys Chem Chem Phys. 2016 Nov 9;18(44):30313–30322. doi: 10.1039/c6cp02595a

Table 7.

The decomposition of AMOEBA absolute deposition free energy values for each compound into enthalpic and entropic contributions at 298 degrees Kelvin.

Compound
ΔGAMOEBADep
ΔHAMOEBADep
-TΔSAMOEBADep
Acetanilide −11.37±0.38 −20.81±0.15 9.44±0.40
Paracetamol −14.38±0.60 −25.93±0.18 11.55±0.63
Methyl Paraben −10.23±0.32 −21.19±0.23 10.96±0.39
Ethyl Paraben −10.29±0.73 −23.30±0.24 13.01±0.77
Phenacetin −16.41±0.42 −22.96±0.28 6.55±0.50

Mean −12.54 −22.84 10.30