Added Boron to simple_regularization

ReactionMechanismGenerator · May 2, 2024 · 2a58be2 · 2a58be2
1 parent 3cd8c26
commit 2a58be2
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/rmgpy/data/kinetics/family.py b/rmgpy/data/kinetics/family.py
@@ -3595,7 +3595,7 @@ 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[:]