Skip to content

Commit 2a7b6d1

Browse files
alongdnyee
authored andcommitted
Added N5_rad groups to Disprop family
(+ deleted redundant H_rad group in tree)
1 parent c818dc3 commit 2a7b6d1

1 file changed

Lines changed: 47 additions & 1 deletion

File tree

  • input/kinetics/families/Disproportionation

input/kinetics/families/Disproportionation/groups.py

Lines changed: 47 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1207,6 +1207,49 @@
12071207
kinetics = None,
12081208
)
12091209

1210+
entry(
1211+
index = 301,
1212+
label = "N5_rad",
1213+
group =
1214+
"""
1215+
1 *1 [N5s,N5d,N5dd,N5t,N5b] u1
1216+
""",
1217+
kinetics = None,
1218+
)
1219+
1220+
entry(
1221+
index = 302,
1222+
label = "N5s_rad",
1223+
group =
1224+
"""
1225+
1 *1 N5s u1 p0
1226+
""",
1227+
kinetics = None,
1228+
)
1229+
1230+
entry(
1231+
index = 303,
1232+
label = "N5d_rad",
1233+
group =
1234+
"""
1235+
1 *1 N5d u1 p0 c+1 {2,D} {3,S}
1236+
2 R!H u0 px c0 {1,D}
1237+
3 R!H u0 px c-1 {1,S}
1238+
""",
1239+
kinetics = None,
1240+
)
1241+
1242+
entry(
1243+
index = 304,
1244+
label = "N5t_rad",
1245+
group =
1246+
"""
1247+
1 *1 N5t u1 p0 cx {2,T}
1248+
2 R!H ux px cx {1,T}
1249+
""",
1250+
kinetics = None,
1251+
)
1252+
12101253
entry(
12111254
index = 2,
12121255
label = "XH_Rrad",
@@ -2789,7 +2832,10 @@
27892832
L5: N3d_rad/C
27902833
L5: N3d_rad/O
27912834
L5: N3d_rad/N
2792-
L3: H_rad
2835+
L3: N5_rad
2836+
L4: N5s_rad
2837+
L4: N5d_rad
2838+
L4: N5t_rad
27932839
L1: XH_Rrad_birad
27942840
L2: XH_Rrad
27952841
L3: XH_s_Rrad

0 commit comments

Comments
 (0)