Continued development of vapour pressure techniques

loftytopping / UManSysProp_public

Source code for predictive techniques provided in the UManSysProp facility.

GNU General Public License v3.0

12 stars 9 forks source link

Closed PetrocShelley closed 4 years ago

PetrocShelley commented 4 years ago

Added SIMPOL. Added new EVAPORATION method that more closely matches the vanilla treatment of enols as alcohols.

loftytopping commented 4 years ago

Merged pull request to include SIMPOL and the 'vanilla' EVAPORATION method