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ReactionMechanismGenerator / RMG-Py Public

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Fix to solvation thermo for lone pairs#364

Merged

connie merged 7 commits intoReactionMechanismGenerator:masterReactionMechanismGenerator/RMG-Py:masterfrom

bslakman:masterbslakman/RMG-Py:masterCopy head branch name to clipboard

Apr 1, 2015

Conversation Commits7 (7)Checks Files changed

Merged

Fix to solvation thermo for lone pairs#364
connie merged 7 commits intoReactionMechanismGenerator:masterfrom
bslakman:master

Commits

Commits on Apr 1, 2015

Added citations and fixed typos in liquid-phase documentation.
bslakman
committed
Fixed lone pairs bug in Platts group additivity for solvation.
bslakman
committed
Added a radical correction lookup for solvation thermo.
bslakman
committed
Change thermo library commentary for liquid phase.

connie
authored and
bslakman
committed
Added work in progress test for Ammonia.

connie
authored and
bslakman
committed
Added an amide to solvation test.

connie
authored and
bslakman
committed
Remove WIP on ammonia solvation test; test now passes.
bslakman
committed

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