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ReactionMechanismGenerator / RMG-database Public

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Adding halogens to `default` families#562

Open

davidfarinajr wants to merge 29 commits intomainReactionMechanismGenerator/RMG-database:mainfrom

halogen_kinetics_trainingReactionMechanismGenerator/RMG-database:halogen_kinetics_trainingCopy head branch name to clipboard

Conversation Commits29 (29)Checks Files changed

Open

Adding halogens to `default` families#562
davidfarinajr wants to merge 29 commits intomainfrom
halogen_kinetics_training

Commits

Commits on Jan 18, 2022

added halogen `H_Abstraction` tranining rxns
davidfarinajr
committed
added halogen `1+2_Cycloaddition` tranining rxns
davidfarinajr
committed
added halogens to `1+2_Cycladdition` groups
davidfarinajr
committed
added halogens to `1,2-Birad_to_alkene` groups
davidfarinajr
committed
added halogen `1,2_Insertion_carbene` training reactions
davidfarinajr
committed
added `1,2_Insertion_carbene` autotree groups and rules
davidfarinajr
committed
added halogen `1,2_Insertion_CO` training reactions
davidfarinajr
committed
added `1,2_Insertion_CO`autotree groups and rules
davidfarinajr
committed
added halogen groups to `1,3_Insertion_ROR` groups
davidfarinajr
committed
added halogens to `Birad_R_Recombination` groups
davidfarinajr
committed
added halogen `CO_Disproportionation` training reactions
davidfarinajr
committed
added `CO_Disproportionation` autotree groups and rules
davidfarinajr
committed
added halogens to `Concerted_Intra_Diels_alder_monocyclic_1,2_shiftH` groups
davidfarinajr
committed
added halogen `Disproportionation` training reactions
davidfarinajr
committed
added `Disproportionation` autotree groups and rules
davidfarinajr
committed
Added `H_Abstraction` autotree groups and rules
davidfarinajr
committed
added halogens to `Intra_ene_reaction` groups
davidfarinajr
committed
added halogen `intra_H_migration` training reactions
davidfarinajr
committed
added halogen `R_Addition_COm` training reactions
davidfarinajr
committed
added `R_Addition_COm` autotree groups and rules
davidfarinajr
committed
added halogen `R_Addition_MultipleBond` training reactions
davidfarinajr
committed
added halogen `R_Recombination` training reactions
davidfarinajr
committed
added `R_Recombination` autotree groups and rules
davidfarinajr
committed
added halogens to `Intra_RH_Add_Endocyclic` groups
davidfarinajr
committed
added halogens to `Intra_RH_Add_Exocyclic` groups
davidfarinajr
committed
added `R_Addition_MultipleBond` autotree groups and rules
davidfarinajr
committed
added `Singlet_Carbene_Intra_Disproportionation` training reactions
davidfarinajr
committed
added `Singlet_Carbene_Intra_Disproportionation` autotree groups and rules
davidfarinajr
committed
use `halogens_kinetics` branch for testing
davidfarinajr
committed

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