Commit 7b4080a
Updated RMG-database with three new reaction families for ring opening/closing reactions.
These new reaction families are added for primary ring opening reactions:
1- Intra_RH_Add_Exocyclic: Ring opening through tautomerization (H-migration and double bond formation)
2- Intra_RH_Add_Endocyclic: Ring opening through tautomerization (H-migration and double bond formation)
3- Intra_R_Add_ExoTetCyclic: Baldwin's exo-tet ring opening reaction class
Still kinetic data is needed to fill the database for new families.
#401 parent e876b2e commit 7b4080a
16 files changed
Lines changed: 14120 additions & 0 deletions
File tree
- input/kinetics/families
- Intra_RH_Add_Endocyclic
- Intra_RH_Add_Exocyclic
- Intra_R_Add_ExoTetCyclic
| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
| |||
| 1 | + | |
| 2 | + | |
| 3 | + | |
| 4 | + | |
| 5 | + | |
| 6 | + | |
| 7 | + | |
| 8 | + | |
| 9 | + | |
Lines changed: 9 additions & 0 deletions
| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
| |||
| 1 | + | |
| 2 | + | |
| 3 | + | |
| 4 | + | |
| 5 | + | |
| 6 | + | |
| 7 | + | |
| 8 | + | |
| 9 | + | |
0 commit comments