Added Boron to simple_regularization

ReactionMechanismGenerator · Mar 8, 2024 · bd46b41 · bd46b41
1 parent 8d2b868
commit bd46b41
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/rmgpy/data/kinetics/family.py b/rmgpy/data/kinetics/family.py
@@ -3631,7 +3631,7 @@ def simple_regularization(self, node, template_rxn_map, test=True):
         grp = node.item
         rxns = template_rxn_map[node.label]
 
-        R = ['H', 'C', 'N', 'O', 'Si', 'S', 'Cl', 'F', 'Br']  # set of possible R elements/atoms
+        R = ['H', 'C', 'N', 'O', 'Si', 'S', 'Cl', 'F', 'Br', 'B']  # set of possible R elements/atoms
         R = [ATOMTYPES[x] for x in R]
 
         RnH = R[:]