Article ID: 41 - Last Modified: May 4, 2011
In a Jaguar calculation does the Solution Phase Energy contain the Solvation Energy or is it the internal energy of the solute in the solvated phase?
Yes, the Solution Phase Energy = Gas Phase Energy + Solvation Energy. See Chapter 5 of the Jaguar User Manual for more information on the Solution Phase Energy.
Keywords: Jaguar, solvation, energy
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