TABLE 5.

Solute entropy terms derived via the harmonic vibration analysis

Simulation	−TS, 300 K (kcal/mol)
K-M	−641
C1-M	−705
C2-M	−703
C3-M	−714
C4-M	−714
C1-L-M	−718
K-M-L-M	−718
Fdiag-L-M	−706

See the text for data by the method of Schlitter.