Radical solvation thermo groups#62
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connie merged 3 commits intoReactionMechanismGenerator:masterfrom Apr 1, 2015
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These groups are radical corrections to the H bonding 'A' value. We use them after we calculate solvation thermo for a saturated structure that we made by saturating radicals with hydrogens.
Radical groups were added for all Platts groups that have an A value, if they'd come about by saturating with H.
For some reason, there was no data for this group despite there being a Platts group. Allows ammonia unit test to pass.
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These values correct the Abraham 'A' values for radicals that had been saturated with H's when looking up the solvation. Goes along with pull request ReactionMechanismGenerator/RMG-Py#364 in RMG-Py