Hi all,
For those interested on open-source code and thermodynamics please
take a look at the JCOSMO project:
http://code.google.com/p/jcosmo/
COSMO-based methods allow the calculation of liquid activity
coefficients based on information coming from quantum mechanic
calculations. These methods are (almost) totally predictive. More
specifically, JCOSMO is a COSMO-SAC implementation and comes with a
database with 1432 compounds.
If you have any question or just find it useful/interesting, please
post a comment on the project site.
With the best regards.