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Pull requests: ReactionMechanismGenerator/RMG-database

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Pull requests list

updated XOH NASA7 polynomials
#690 opened May 1, 2025 by kirkbadger18 Loading…
1
water solvent parameter modified
#687 opened Mar 28, 2025 by temp232 Loading…
Added kinetics "CH3OH+H=CH3+H2O"
#686 opened Mar 25, 2025 by jeehyuny Loading…
1
Jetfuels thermo library
#685 opened Feb 26, 2025 by MichalKesl Loading…
Add Fe110 to metal database Complexity: Low Topic: Catalysis
#682 opened Feb 21, 2025 by sevyharris Loading…
3
Add thermo and kinetics data for electrocatalytic CO2 reduction Status: WIP
#677 opened Jan 23, 2025 by ssun30 • Draft
@ssun30
Update thermo
#672 opened Dec 10, 2024 by 12Chao Loading…
2
Require birad_r_recombination to be between a doublet and triplet
#662 opened Aug 15, 2024 by donerancl • Draft
9
Corrected CH2 & CH2* species for reactions in JetSurF2.0
#650 opened May 21, 2024 by PoojaNem Loading…
1
2
Adding Fluoromethane chemistry to RMG kinetic database
#624 opened Jun 15, 2023 by SiddhaSharma Loading…
9
Add AEC/BAC for dlpno-ccsd(t)/def2svp//wb97xd/def2svp
#606 opened Feb 5, 2023 by oscarwumit • Draft
1
Lithium
#605 opened Jan 10, 2023 by mjohnson541 Loading…
8
Added BACs data from PR #421
#603 opened Jan 2, 2023 by alongd Loading…
4
Disprop ATG Topic: Tree Gen
#593 opened Sep 8, 2022 by kspieks Loading…
@kspieks
ATG R Addition MultipleBond
#585 opened May 19, 2022 by kspieks Loading…
@kspieks
4
ATG for Intra RH Add Endocyclic family Topic: Kinetics
#578 opened Apr 26, 2022 by kspieks Loading…
@kspieks
Adding halogens to default families
#562 opened Jan 17, 2022 by davidfarinajr Loading…
Halogen kinetics update
#549 opened Nov 20, 2021 by davidfarinajr Loading…
4
Generated tree for Birad_R_Recombination
#519 opened Aug 23, 2021 by sevyharris Loading…
1
Halogen training reactions
#515 opened Jul 28, 2021 by davidfarinajr Loading…
15
Adding surface training reactions Topic: Catalysis
#512 opened Jul 23, 2021 by Tingchenlee Loading…
@Tingchenlee
13
WIP - Cathub kinetics Status: WIP Topic: Catalysis Topic: Kinetics Twin RMG-Py PR
#499 opened Jun 23, 2021 by davidfarinajr Loading…
3
Tree gen SubstitutionS
#495 opened Jun 14, 2021 by ChrisBNEU Loading…
2
Tree generation for intra_H_migration
#491 opened Jun 14, 2021 by mjohnson541 Loading…
Tree Generation for Cyclic Ether Formation Status: Review Needed
#487 opened Jun 7, 2021 by xiaoruiDong Loading…
@xiaoruiDong
6
ProTip! What’s not been updated in a month: updated:<2025-04-03.