Subject: Free energy - electronic energy

From: Dennis Ryan <[email-masked]>
Date: Sun, 23 Feb 2003 07:28:19 -0800 (PST)

Hello,

Is it possible to compare free energies instead of electronic energies for a rxn path (not necessarily in solvent) that is calculated by semi-empirical methods? that is when it is not possible to obtain info by el.en?

thanks !

kind regards

Dennis

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