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ReactionMechanismGenerator / RMG-database Public

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Halogen kinetics update#549

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davidfarinajr wants to merge 17 commits intomainReactionMechanismGenerator/RMG-database:mainfrom

halogen_kinetics_updateReactionMechanismGenerator/RMG-database:halogen_kinetics_updateCopy head branch name to clipboard

Conversation Commits17 (17)Checks Files changed

Open

Halogen kinetics update#549
davidfarinajr wants to merge 17 commits intomainfrom
halogen_kinetics_update

Commits

Commits on Mar 28, 2022

added `XY_Addition_MultipleBond` training reactions
davidfarinajr
committed
regenerated `XY_Addition_MultipleBond` tree
davidfarinajr
committed
Revised A factors for `1,2_XY_interchange` rules
davidfarinajr
committed
added `halocarbene_CO_dimerization` reaction family
davidfarinajr
committed
added forbidden groups to `1,2_XY_interchange`
davidfarinajr
committed
added `OD[C]Br` to CHOBr_G4 thermo lib
davidfarinajr
committed
added `halocarbene_recombination` training reactions
davidfarinajr
committed
autogenerated `halocarbene_recombination` tree
davidfarinajr
committed
Added `1,3_sigmatropic_rearrangement` halogen training rxns
davidfarinajr
committed
added `halogens_pdep` kinetics library
davidfarinajr
committed
regen BM rules for halogen families with new fitting algorithm
davidfarinajr
committed
fixup for `halocarbene_CO_dimerization` groups
davidfarinajr
committed
added `halocarbene_CO_dimerization` to family images
davidfarinajr
committed
removed halogen seed mechs
davidfarinajr
committed
added Tmin and Tmax to kinetics data for halogen kinetics
davidfarinajr
committed
moving locations of halogen kinetics libraries
davidfarinajr
committed
added HE to CF2BrCl library
davidfarinajr
committed

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