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ReactionMechanismGenerator / RMG-database Public

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Halogens kinetics#472

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davidfarinajr wants to merge 46 commits intomasterReactionMechanismGenerator/RMG-database:masterfrom

halogens_kineticsReactionMechanismGenerator/RMG-database:halogens_kineticsCopy head branch name to clipboard

Conversation Commits46 (46)Checks Files changed

Closed

Halogens kinetics#472
davidfarinajr wants to merge 46 commits intomasterfrom
halogens_kinetics

Commits

Commits on Jul 14, 2021

added F_Abstraction family with autogen tree
davidfarinajr
committed
added Cl_Abstraction family with autogen tree
davidfarinajr
committed
added Br_Abstraction family with autogen tree
davidfarinajr
committed
added XY_Addition_MulitpleBond with autogen tree
davidfarinajr
committed
added 1,2_XY_interchange family
davidfarinajr
committed
added Disproportionation-Y family with autogen tree
davidfarinajr
committed

Commits on Jul 15, 2021

added halogen nodes to H_Abstraction family tree
davidfarinajr
committed
added H_Abstraction training reactions with halogens
davidfarinajr
committed
added halogen nodes to Disproportionation family tree
davidfarinajr
committed
added Disproportionation training reactions with halogens
davidfarinajr
committed
added halogen nodes to R_Addition_MultipleBond family tree
davidfarinajr
committed
Added R_Addition_MulitpleBond training reactions for halogens
davidfarinajr
committed
added halogen nodes to 1,2_Insertion_carbene family tree
davidfarinajr
committed
added 1,2_Insertion_carbene halogen training reactions
davidfarinajr
committed
added `Val7` to 1+2_Cycloaddition groups
davidfarinajr
committed
added `Val7` to 1,2-Birad_to_alkene groups
davidfarinajr
committed
added `Val7` to top of 1,2_Insertion_CO family tree
davidfarinajr
committed
added training reactions for 1,2_insertion_CO
davidfarinajr
committed
added halogen nodes to 1,3_Insertion_CO2
davidfarinajr
committed
added `Val7` to top of 1,3_Insertion_ROR
davidfarinajr
committed
added halogen nodes to Birad_R_Recombination
davidfarinajr
committed
added Birad_R_Recombination training reactions
davidfarinajr
committed
added `Val7` to intra_H_migration reaction family
davidfarinajr
committed
added intra_H_migration training reactions
davidfarinajr
committed
added halogen nodes to Singlet_Carbene_Intra_Disproportionation reaction family
davidfarinajr
committed
added a training reaction for Singlet_Carbene_Intra_Disproportionation
davidfarinajr
committed
added halogen nodes to CO_Disproportionation reaction family
davidfarinajr
committed
added CO_Disproportionation training reactions
davidfarinajr
committed
added halogen nodes to R_Recombination
davidfarinajr
committed
added R_Recombination training reactions
davidfarinajr
committed
added `Val7` to Intra_Dispropotionation groups
davidfarinajr
committed
added `Val7` to Intra_ene_reaction groups
davidfarinajr
committed
added `Val7` to Concerted_Intra_Diels_alder_monocyclic_1,2_shiftH groups
davidfarinajr
committed
added `Val7` to Intra_RH_Add_Endocyclic groups
davidfarinajr
committed
added `Val7` to Intra_RH_Add_Exocyclic groups
davidfarinajr
committed
added `Val7` to R_Addition_COm groups
davidfarinajr
committed
added R_Addition_COm training reactions
davidfarinajr
committed
created `halogens` set in kinetics recommended families
davidfarinajr
committed
added 2-BTP kinetic model from NIST
davidfarinajr
committed
added DTU_mech_CH3Cl kinetic library
davidfarinajr
committed
Added NIST_Fluorine kinetic models
davidfarinajr
committed
added YF (HFO-1234yf) kinetic mech
davidfarinajr
committed
added 1,2_XY_interchange reaction family
davidfarinajr
committed
use `halogens_kinetics` py branch for testing
davidfarinajr
committed
added H abstraction training reaction
davidfarinajr
committed
Merge branch 'halogen_families' of https://github.com/ReactionMechanismGenerator/RMG-database into halogens_kinetics
davidfarinajr
committed

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