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. 2011 Nov 18;135(19):194108. doi: 10.1063/1.3660212

Table 8.

Comparison of solvation energy components between present results (OSMQ) and those of Wang et al. (Ref. 75) for three small molecules.

  ΔGp (kcal/mol)
  ΔGQM (kcal/mol)
  Gnp (kcal/mol)
Compound OSMQ Wang et al.   OSMQ Wang et al.   OSMQ Wang et al.
Water −7.55 −7.36   0.86 1.01   0.39 0.59
Methanol −6.18 −5.53   0.63 0.77   0.57 0.77
NH3 −5.12 −6.77   0.87 0.92   0.46 0.63