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Published 20 hours ago • verified publisher icon ReactionMechanismGenerator

Added the NH3 thermo library

Open alongd opened this issue 2 years ago • 0 comments

Based on CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ computations with enthalpies from ATcT where available

Also added several forbidden species and made two minor modifications to the primaryNitrogenLibrary kinetic library

alongd avatar May 20 '23 17:05 alongd