Skip to content

Commit 4b487e7

Browse files
committed
Diels_alder_addition: Make sure benzene forbidden group is broad enough
1 parent 90ab6eb commit 4b487e7

File tree

1 file changed

+4
-4
lines changed
  • input/kinetics/families/Diels_alder_addition

1 file changed

+4
-4
lines changed

input/kinetics/families/Diels_alder_addition/groups.py

Lines changed: 4 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -1695,10 +1695,10 @@
16951695
"""
16961696
1 *1 Cd u0 {2,D} {6,S}
16971697
2 *2 Cd u0 {1,D} {3,S}
1698-
3 Cd u0 {2,S} {4,D}
1699-
4 Cd u0 {3,D} {5,S}
1700-
5 Cd u0 {4,S} {6,D}
1701-
6 Cd u0 {5,D} {1,S}
1698+
3 Cd ux {2,S} {4,D}
1699+
4 Cd ux {3,D} {5,S}
1700+
5 Cd ux {4,S} {6,D}
1701+
6 Cd ux {5,D} {1,S}
17021702
""",
17031703
shortDesc = u"""""",
17041704
longDesc =

0 commit comments

Comments
 (0)