ReactionMechanismGenerator / ReactionMechanismGenerator/RMG-database
Intra_R_Add_ExoTetCyclic contains Cyclic_Ether_Formation
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- Dominant language
- Python
- Stars
- 127
- Forks
- 160
- Avg merge
- 6d 2h
- Merged PRs (30d)
- 2
Description
As far as I can tell any cyclic_ether_formation reaction will have a corresponding intra_R_add_ExoTetCyclic reaction that I believe has the same TS. If that's the case we should either combine the two or adjust Intra_R_Add_ExoTetCyclic so it isn't as broad.
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First steps
- Read the whole issue, then the project's contributing guide.
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Research direction
Start by comparing the Intra_R_Add_ExoTetCyclic and cyclic_ether_formation reaction-family definitions and their transition-state assumptions. Determine whether the families always correspond, then document a resolved scope and whether they should be combined or narrowed.
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Assessment
- Domain
- databases
- Issue type
- Refactor
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100