diff --git a/input/kinetics/families/Singlet_Carbene_Intra_Disproportionation/groups.py b/input/kinetics/families/Singlet_Carbene_Intra_Disproportionation/groups.py index 0b2a0431b3..d6101b7fcb 100644 --- a/input/kinetics/families/Singlet_Carbene_Intra_Disproportionation/groups.py +++ b/input/kinetics/families/Singlet_Carbene_Intra_Disproportionation/groups.py @@ -25,7 +25,7 @@ label = "singletcarbene_CH", group= """ - 1 *1 C u0 p1 {2,[S,D]} + 1 *1 C u0 p1 c0 {2,[S,D]} 2 *2 C u0 {1,[S,D]} {3,S} 3 *3 H u0 {2,S} """, @@ -37,7 +37,7 @@ label = "singletcarbene", group = """ -1 *1 C u0 p1 +1 *1 C u0 p1 c0 """, kinetics = None, shortDesc = "", @@ -73,7 +73,7 @@ 3 C u0 {2,S} {4,D} 4 C u0 {3,D} {6,S} 5 C u0 {2,D} -6 *1 C u0 p1 {1,S} {4,S} +6 *1 C u0 p1 c0 {1,S} {4,S} 7 *3 H u0 {1,S} """, kinetics = None, @@ -94,7 +94,7 @@ 3 C u0 {2,D} {4,S} 4 C u0 {3,S} {5,D} 5 C u0 {4,D} {6,S} -6 *1 C u0 p1 {1,S} {5,S} +6 *1 C u0 p1 c0 {1,S} {5,S} 7 *3 H u0 {1,S} """, kinetics = None, @@ -110,7 +110,7 @@ label = "CsJ2-C", group = """ -1 *1 C u0 p1 {2,S} +1 *1 C u0 p1 c0 {2,S} 2 *2 C u0 {1,S} {3,S} 3 *3 H u0 {2,S} """, @@ -127,7 +127,7 @@ label = "CdJ2=C", group = """ -1 *1 C u0 p1 {2,D} +1 *1 C u0 p1 c0 {2,D} 2 *2 C u0 {1,D} {3,S} 3 *3 H u0 {2,S} """, @@ -144,7 +144,7 @@ label = "CdJ2", group = """ -1 *1 Cd u0 p1 +1 *1 Cd u0 p1 c0 """, kinetics = None, shortDesc = "", @@ -159,7 +159,7 @@ label = "CsJ2H", group = """ -1 *1 Cs u0 p1 {2,S} +1 *1 Cs u0 p1 c0 {2,S} 2 H u0 {1,S} """, kinetics = None, @@ -175,7 +175,7 @@ label = "CsJ2C", group = """ -1 *1 Cs u0 p1 {2,S} +1 *1 Cs u0 p1 c0 {2,S} 2 C u0 {1,S} """, kinetics = None, @@ -191,7 +191,7 @@ label = "CsJ2(CsC)", group = """ -1 *1 Cs u0 p1 {2,S} +1 *1 Cs u0 p1 c0 {2,S} 2 Cs u0 {1,S} {3,S} 3 C u0 {2,S} """, @@ -208,7 +208,7 @@ label = "CsJ2(C=C)", group = """ -1 *1 Cs u0 p1 {2,S} +1 *1 Cs u0 p1 c0 {2,S} 2 Cd u0 {1,S} {3,D} 3 C u0 {2,D} """, @@ -366,4 +366,4 @@ L2: CH(C)C L2: CH=C """ -) \ No newline at end of file +)