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Radical solvation thermo groups #62

Merged
merged 3 commits into from
Apr 1, 2015

Commits on Mar 30, 2015

  1. Started a database for radical solvation thermo.

    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.
    bslakman committed Mar 30, 2015
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Commits on Apr 1, 2015

  1. Additions to the solvation thermo radical groups.

    Radical groups were added for all Platts groups that have an A value,
    if they'd come about by saturating with H.
    bslakman committed Apr 1, 2015
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  2. Added data for N3sH2 group.

    For some reason, there was no data for this group despite there being a Platts group. Allows ammonia unit test to pass.
    bslakman committed Apr 1, 2015
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