In the forbidden groups of many kinetic families N was treated as having similar valance as C or Si.

This was now fixed generally by deliting "N" from the "birad_singlet" and "quadrad_singlet" groups,
and adding a “N_birad_singlet” forbidden group.

Specifically, the following changes were made:
Disproportionation: Removed: “XH_birad_singlet”, "XH_quadrad_singlet", "birad_singlet", "quadrad_singlet", added “N_birad_singlet”, "XH_N_birad_singlet"
H_Abstraction: Removed: "birad_singlet", "quadrad_singlet", added: “N_birad_singlet”
Intra_H_migration: Removed: "birad_singlet", "quadrad_singlet", added: “N_birad_singlet”
Intra_R_Add_Endocyclic: Removed: "birad_singlet", "quadrad_singlet", added: “N_birad_singlet”
Intra_R_Add_Exocyclic: Removed: "birad_singlet", "quadrad_singlet", added: “N_birad_singlet”
Intra_R_Add_ExoTetcyclic: "birad_singlet", "quadrad_singlet", added: “N_birad_singlet”
Substitution_O: Removed: "birad_singlet", "quadrad_singlet", added: “N_birad_singlet”
SubstitutionS: Removed: "birad_singlet", "quadrad_singlet” , added: “N_birad_singlet”

Author: alongd

input/kinetics/families/Disproportionation/groups.py

@@ -2988,7 +2988,7 @@
     label = "XH_birad_singlet",
     group = 
 """
-1 *3 [C,N,Si] u0 p1 {2,[S,D,T]}
+1 *3 [C,Si] u0 p1 {2,[S,D,T]}
 2 *2 R!H      ux {1,[S,D,T]} {3,S}
 3 *4 H        u0 {2,S}
 """,
@@ -3003,7 +3003,7 @@
     label = "XH_quadrad_singlet",
     group = 
 """
-1 *3 [C,N,Si] u0 p2 {2,[S,D,T]}
+1 *3 [C,Si] u0 p2 {2,[S,D,T]}
 2 *2 R!H      ux {1,[S,D,T]} {3,S}
 3 *4 H        u0 {2,S}
 """,
@@ -3014,11 +3014,39 @@
 """,
 )
 
+forbidden(
+    label = "XH_N_birad_singlet",
+    group = 
+"""
+1 *3 N u0 p2 {2,[S,D]}
+2 *2 R!H      ux {1,[S,D]} {3,S}
+3 *4 H        u0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc = 
+u"""
+
+""",
+)
+
 forbidden(
     label = "birad_singlet",
     group = 
 """
-1 *1 [C,N,Si] u0 p1
+1 *1 [C,Si] u0 p1
+""",
+    shortDesc = u"""""",
+    longDesc = 
+u"""
+
+""",
+)
+
+forbidden(
+    label = "N_birad_singlet",
+    group = 
+"""
+1 *1 N u0 p2
 """,
     shortDesc = u"""""",
     longDesc = 
@@ -3031,7 +3059,7 @@
     label = "quadrad_singlet",
     group = 
 """
-1 *1 [C,N,Si] u0 p2
+1 *1 [C,Si] u0 p2
 """,
     shortDesc = u"""""",
     longDesc = 

input/kinetics/families/H_Abstraction/groups.py

@@ -6876,7 +6876,20 @@
     label = "birad_singlet",
     group = 
 """
-1 *3 [C,N,Si] u0 p1
+1 *3 [C,Si] u0 p1
+""",
+    shortDesc = u"""""",
+    longDesc = 
+u"""
+
+""",
+)
+
+forbidden(
+    label = "N_birad_singlet",
+    group = 
+"""
+1 *3 N u0 p2
 """,
     shortDesc = u"""""",
     longDesc = 
@@ -6976,7 +6989,7 @@
     label = "quadrad_singlet",
     group = 
 """
-1 *3 [C,N,Si] u0 p2
+1 *3 [C,Si] u0 p2
 """,
     shortDesc = u"""""",
     longDesc = 

input/kinetics/families/Intra_R_Add_Endocyclic/groups.py

@@ -2643,7 +2643,20 @@
     label = "birad_singlet",
     group = 
 """
-1 *1 [C,N,Si] u0 p1
+1 *1 [C,Si] u0 p1
+""",
+    shortDesc = u"""""",
+    longDesc = 
+u"""
+
+""",
+)
+
+forbidden(
+    label = "N_birad_singlet",
+    group = 
+"""
+1 *1 N u0 p2
 """,
     shortDesc = u"""""",
     longDesc = 
@@ -2684,7 +2697,7 @@
     label = "quadrad_singlet",
     group = 
 """
-1 *1 [C,N,Si] u0 p2
+1 *1 [C,Si] u0 p2
 """,
     shortDesc = u"""""",
     longDesc = 

input/kinetics/families/Intra_R_Add_ExoTetCyclic/groups.py

@@ -3172,7 +3172,20 @@
     label = "birad_singlet",
     group = 
 """
-1 *1 [C,N,Si] u0 p1
+1 *1 [C,Si] u0 p1
+""",
+    shortDesc = u"""""",
+    longDesc = 
+u"""
+
+""",
+)
+
+forbidden(
+    label = "N_birad_singlet",
+    group = 
+"""
+1 *1 N u0 p2
 """,
     shortDesc = u"""""",
     longDesc = 
@@ -3199,7 +3212,7 @@
     label = "quadrad_singlet",
     group = 
 """
-1 *1 [C,N,Si] u0 p2
+1 *1 [C,Si] u0 p2
 """,
     shortDesc = u"""""",
     longDesc = 

input/kinetics/families/Intra_R_Add_Exocyclic/groups.py

@@ -2948,7 +2948,20 @@
     label = "birad_singlet",
     group = 
 """
-1 *1 [C,N,Si] u0 p1
+1 *1 [C,Si] u0 p1
+""",
+    shortDesc = u"""""",
+    longDesc = 
+u"""
+
+""",
+)
+
+forbidden(
+    label = "N_birad_singlet",
+    group = 
+"""
+1 *1 N u0 p2
 """,
     shortDesc = u"""""",
     longDesc = 
@@ -2988,7 +3001,7 @@
     label = "quadrad_singlet",
     group = 
 """
-1 *1 [C,N,Si] u0 p2
+1 *1 [C,Si] u0 p2
 """,
     shortDesc = u"""""",
     longDesc = 

input/kinetics/families/SubstitutionS/groups.py

@@ -5367,7 +5367,20 @@
     label = "birad_singlet",
     group = 
 """
-1 *3 [C,N,Si] u0 p1
+1 *3 [C,Si] u0 p1
+""",
+    shortDesc = u"""""",
+    longDesc = 
+u"""
+
+""",
+)
+
+forbidden(
+    label = "N_birad_singlet",
+    group = 
+"""
+1 *3 N u0 p2
 """,
     shortDesc = u"""""",
     longDesc = 
@@ -5380,7 +5393,7 @@
     label = "quadrad_singlet",
     group = 
 """
-1 *3 [C,N,Si] u0 p2
+1 *3 [C,Si] u0 p2
 """,
     shortDesc = u"""""",
     longDesc = 

input/kinetics/families/Substitution_O/groups.py

@@ -4578,7 +4578,20 @@
     label = "birad_singlet",
     group = 
 """
-1 *3 [C,N,Si] u0 p1
+1 *3 [C,Si] u0 p1
+""",
+    shortDesc = u"""""",
+    longDesc = 
+u"""
+
+""",
+)
+
+forbidden(
+    label = "N_birad_singlet",
+    group = 
+"""
+1 *3 N u0 p2
 """,
     shortDesc = u"""""",
     longDesc = 
@@ -4591,7 +4604,7 @@
     label = "quadrad_singlet",
     group = 
 """
-1 *3 [C,N,Si] u0 p2
+1 *3 [C,Si] u0 p2
 """,
     shortDesc = u"""""",
     longDesc = 

input/kinetics/families/intra_H_migration/groups.py

@@ -4263,7 +4263,20 @@
     label = "birad_singlet",
     group = 
 """
-1 *1 [C,N,Si] u0 p1
+1 *1 [C,Si] u0 p1
+""",
+    shortDesc = u"""""",
+    longDesc = 
+u"""
+
+""",
+)
+
+forbidden(
+    label = "N_birad_singlet",
+    group = 
+"""
+1 *1 N u0 p2
 """,
     shortDesc = u"""""",
     longDesc = 
@@ -5309,7 +5322,7 @@
     label = "quadrad_singlet",
     group = 
 """
-1 *1 [C,N,Si] u0 p2
+1 *1 [C,Si] u0 p2
 """,
     shortDesc = u"""""",
     longDesc =