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Corrected smiles for Ar and He in collider efficiency, corrected wrong adjlist for two molecules
1 parent be87b70 commit 4ecd312

2 files changed

Lines changed: 91 additions & 92 deletions

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‎input/kinetics/libraries/FFCM1(-)/dictionary.txt‎

Lines changed: 1 addition & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -157,11 +157,10 @@ N2
157157
CH3O
158158
multiplicity 2
159159
1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S}
160-
2 O u0 p2 c0 {1,S} {6,S}
160+
2 O u1 p2 c0 {1,S}
161161
3 H u0 p0 c0 {1,S}
162162
4 H u0 p0 c0 {1,S}
163163
5 H u0 p0 c0 {1,S}
164-
6 O u1 p2 c0 {2,S}
165164

166165
C2H3
167166
multiplicity 2

‎input/kinetics/libraries/FFCM1(-)/reactions.py‎

Lines changed: 90 additions & 90 deletions
Original file line numberDiff line numberDiff line change
@@ -111,33 +111,33 @@
111111
Ea = (104390, 'kcal/mol'),
112112
T0 = (1, 'K'),
113113
),
114-
efficiencies = {'Ar': 0, 'He': 0, 'N#N': 1.01, '[H][H]': 2.55, 'O': 12.02, '[C-]#[O+]': 1.95, 'O=C=O': 3.83, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
115-
),
116-
)
117-
118-
entry(
119-
index = 6,
120-
label = "H2 + Ar <=> H + H + Ar",
121-
degeneracy = 1,
122-
kinetics = Arrhenius(
123-
A = (5.176e+18, 'cm^3/(mol*s)'),
124-
n = -1.1,
125-
Ea = (104390, 'kcal/mol'),
126-
T0 = (1, 'K'),
127-
),
128-
)
129-
130-
entry(
131-
index = 7,
132-
label = "H2 + He <=> H + H + He",
133-
degeneracy = 1,
134-
kinetics = Arrhenius(
135-
A = (5.84e+18, 'cm^3/(mol*s)'),
136-
n = -1.1,
137-
Ea = (104390, 'kcal/mol'),
138-
T0 = (1, 'K'),
139-
),
140-
)
114+
efficiencies = {'[Ar]': 0, '[He]': 0, 'N#N': 1.01, '[H][H]': 2.55, 'O': 12.02, '[C-]#[O+]': 1.95, 'O=C=O': 3.83, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
115+
),
116+
)
117+
118+
#entry(
119+
# index = 6,
120+
# label = "H2 + Ar <=> H + H + Ar",
121+
# degeneracy = 1,
122+
# kinetics = Arrhenius(
123+
# A = (5.176e+18, 'cm^3/(mol*s)'),
124+
# n = -1.1,
125+
# Ea = (104390, 'kcal/mol'),
126+
# T0 = (1, 'K'),
127+
# ),
128+
#)
129+
130+
#entry(
131+
# index = 7,
132+
# label = "H2 + He <=> H + H + He",
133+
# degeneracy = 1,
134+
# kinetics = Arrhenius(
135+
# A = (5.84e+18, 'cm^3/(mol*s)'),
136+
# n = -1.1,
137+
# Ea = (104390, 'kcal/mol'),
138+
# T0 = (1, 'K'),
139+
# ),
140+
#)
141141

142142
entry(
143143
index = 8,
@@ -150,41 +150,41 @@
150150
Ea = (0, 'kcal/mol'),
151151
T0 = (1, 'K'),
152152
),
153-
efficiencies = {'Ar': 0, 'He': 0, '[H][H]': 2.50, 'O': 12.00, '[C-]#[O+]': 1.90, 'O=C=O': 3.80, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
154-
),
155-
)
156-
157-
entry(
158-
index = 9,
159-
label = "O + O + Ar <=> O2 + Ar",
160-
degeneracy = 1,
161-
kinetics = Arrhenius(
162-
A = (1.89e+13, 'cm^6/(mol^2*s)'),
163-
n = 0,
164-
Ea = (-1788, 'kcal/mol'),
165-
T0 = (1, 'K'),
166-
),
167-
)
168-
169-
entry(
170-
index = 10,
171-
label = "O + O + He <=> O2 + He",
172-
degeneracy = 1,
173-
kinetics = Arrhenius(
174-
A = (1.89e+13, 'cm^6/(mol^2*s)'),
175-
n = 0,
176-
Ea = (-1788, 'kcal/mol'),
177-
T0 = (1, 'K'),
178-
),
179-
)
153+
efficiencies = {'[Ar]': 0, '[He]': 0, '[H][H]': 2.50, 'O': 12.00, '[C-]#[O+]': 1.90, 'O=C=O': 3.80, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
154+
),
155+
)
156+
157+
#entry(
158+
# index = 9,
159+
# label = "O + O + Ar <=> O2 + Ar",
160+
# degeneracy = 1,
161+
# kinetics = Arrhenius(
162+
# A = (1.89e+13, 'cm^6/(mol^2*s)'),
163+
# n = 0,
164+
# Ea = (-1788, 'kcal/mol'),
165+
# T0 = (1, 'K'),
166+
# ),
167+
#)
168+
169+
#entry(
170+
# index = 10,
171+
# label = "O + O + He <=> O2 + He",
172+
# degeneracy = 1,
173+
# kinetics = Arrhenius(
174+
# A = (1.89e+13, 'cm^6/(mol^2*s)'),
175+
# n = 0,
176+
# Ea = (-1788, 'kcal/mol'),
177+
# T0 = (1, 'K'),
178+
# ),
179+
#)
180180

181181
entry(
182182
index = 11,
183183
label = "O + H <=> OH",
184184
degeneracy = 1,
185185
kinetics = ThirdBody(
186186
arrheniusLow = Arrhenius(A=(4.71e+18, 'cm^6/(mol^2*s)'), n=-1, Ea=(0, 'kcal/mol'), T0=(1, 'K')),
187-
efficiencies = {'Ar': 0.75, 'He': 0.75, 'N#N': 1.32, '[H][H]': 2.50, 'O': 15.80, '[C-]#[O+]': 2.52, 'O=C=O': 5.01, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
187+
efficiencies = {'[Ar]': 0.75, '[He]': 0.75, 'N#N': 1.32, '[H][H]': 2.50, 'O': 15.80, '[C-]#[O+]': 2.52, 'O=C=O': 5.01, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
188188
),
189189
)
190190

@@ -199,7 +199,7 @@
199199
Ea = (120800, 'kcal/mol'),
200200
T0 = (1, 'K'),
201201
),
202-
efficiencies = {'Ar': 1.23, 'He': 1.33, 'N#N': 2.46, '[H][H]': 3.77, '[O][O]': 1.50, 'O': 0.00, '[C-]#[O+]': 2.40, 'O=C=O': 4.67, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
202+
efficiencies = {'[Ar]': 1.23, '[He]': 1.33, 'N#N': 2.46, '[H][H]': 3.77, '[O][O]': 1.50, 'O': 0.00, '[C-]#[O+]': 2.40, 'O=C=O': 4.67, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
203203
),
204204
)
205205

@@ -236,7 +236,7 @@
236236
T3 = (30, 'K'),
237237
T1 = (90000, 'K'),
238238
T2 = (90000, 'K'),
239-
efficiencies = {'Ar': 0.6, 'He': 0.71, 'N#N': 0.96, '[H][H]': 1.87, '[O][O]': 0.75, 'O': 15.81, '[C-]#[O+]': 1.90, 'O=C=O': 3.45, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
239+
efficiencies = {'[Ar]': 0.6, '[He]': 0.71, 'N#N': 0.96, '[H][H]': 1.87, '[O][O]': 0.75, 'O': 15.81, '[C-]#[O+]': 1.90, 'O=C=O': 3.45, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
240240
),
241241
)
242242

@@ -318,7 +318,7 @@
318318
T3 = (30, 'K'),
319319
T1 = (90000, 'K'),
320320
T2 = (90000, 'K'),
321-
efficiencies = {'Ar': 0.85, 'He': 0.65, 'N#N': 1.33, '[H][H]': 3.27, '[O][O]': 1.20, 'O': 6.63, 'OO': 6.61, '[C-]#[O+]': 2.80, 'O=C=O': 1.60, 'C': 2.00, 'C=O': 2.33, 'CO': 3.00, 'CC': 3.00},
321+
efficiencies = {'[Ar]': 0.85, '[He]': 0.65, 'N#N': 1.33, '[H][H]': 3.27, '[O][O]': 1.20, 'O': 6.63, 'OO': 6.61, '[C-]#[O+]': 2.80, 'O=C=O': 1.60, 'C': 2.00, 'C=O': 2.33, 'CO': 3.00, 'CC': 3.00},
322322
),
323323
)
324324

@@ -377,7 +377,7 @@
377377
Ea = (5500, 'kcal/mol'),
378378
T0 = (1, 'K'),
379379
),
380-
efficiencies = {'Ar': 0.87, 'He': 2.50, 'O': 12.00, '[C-]#[O+]': 1.90, 'O=C=O': 3.80, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
380+
efficiencies = {'[Ar]': 0.87, '[He]': 2.50, 'O': 12.00, '[C-]#[O+]': 1.90, 'O=C=O': 3.80, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
381381
),
382382
)
383383

@@ -428,7 +428,7 @@
428428
Ea = (17734, 'kcal/mol'),
429429
T0 = (1, 'K'),
430430
),
431-
efficiencies = {'Ar': 1.40, 'He': 1.31, 'N#N': 1.31, '[H][H]': 1.31, '[O][O]': 1.32, 'O': 15.31, '[C-]#[O+]': 2.40, 'O=C=O': 2.00, 'C': 2.60, 'C=O': 3.29, 'CO': 3.00, 'CC': 3.00},
431+
efficiencies = {'[Ar]': 1.40, '[He]': 1.31, 'N#N': 1.31, '[H][H]': 1.31, '[O][O]': 1.32, 'O': 15.31, '[C-]#[O+]': 2.40, 'O=C=O': 2.00, 'C': 2.60, 'C=O': 3.29, 'CO': 3.00, 'CC': 3.00},
432432
),
433433
)
434434

@@ -535,7 +535,7 @@
535535
T3 = (152, 'K'),
536536
T1 = (22850, 'K'),
537537
T2 = (10350, 'K'),
538-
efficiencies = {'Ar': 0.71, 'He': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
538+
efficiencies = {'[Ar]': 0.71, '[He]': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
539539
),
540540
)
541541

@@ -611,7 +611,7 @@
611611
T3 = (30, 'K'),
612612
T1 = (90000, 'K'),
613613
T2 = (90000, 'K'),
614-
efficiencies = {'Ar': 0.70, 'He': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
614+
efficiencies = {'[Ar]': 0.70, '[He]': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
615615
),
616616
)
617617

@@ -643,7 +643,7 @@
643643
T3 = (258, 'K'),
644644
T1 = (2811, 'K'),
645645
T2 = (9908, 'K'),
646-
efficiencies = {'Ar': 0.70, 'He': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
646+
efficiencies = {'[Ar]': 0.70, '[He]': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
647647
),
648648
)
649649

@@ -786,19 +786,19 @@
786786
kinetics = Arrhenius(A=(1.2e+13, 'cm^3/(mol*s)'), n=0, Ea=(471, 'kcal/mol'), T0=(1, 'K')),
787787
)
788788

789-
entry(
790-
index = 66,
791-
label = "CH2(S) + Ar <=> CH2 + Ar",
792-
degeneracy = 1,
793-
kinetics = Arrhenius(A=(9e+12, 'cm^3/(mol*s)'), n=0, Ea=(600, 'kcal/mol'), T0=(1, 'K')),
794-
)
789+
#entry(
790+
# index = 66,
791+
# label = "CH2(S) + Ar <=> CH2 + Ar",
792+
# degeneracy = 1,
793+
# kinetics = Arrhenius(A=(9e+12, 'cm^3/(mol*s)'), n=0, Ea=(600, 'kcal/mol'), T0=(1, 'K')),
794+
#)
795795

796-
entry(
797-
index = 67,
798-
label = "CH2(S) + He <=> CH2 + He",
799-
degeneracy = 1,
800-
kinetics = Arrhenius(A=(6.62e+12, 'cm^3/(mol*s)'), n=0, Ea=(755, 'kcal/mol'), T0=(1, 'K')),
801-
)
796+
#entry(
797+
# index = 67,
798+
# label = "CH2(S) + He <=> CH2 + He",
799+
# degeneracy = 1,
800+
# kinetics = Arrhenius(A=(6.62e+12, 'cm^3/(mol*s)'), n=0, Ea=(755, 'kcal/mol'), T0=(1, 'K')),
801+
#)
802802

803803
entry(
804804
index = 68,
@@ -934,7 +934,7 @@
934934
T3 = (271, 'K'),
935935
T1 = (2755, 'K'),
936936
T2 = (6570, 'K'),
937-
efficiencies = {'Ar': 0.79, 'He': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.84, 'CO': 3.00, 'CC': 3.00},
937+
efficiencies = {'[Ar]': 0.79, '[He]': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.84, 'CO': 3.00, 'CC': 3.00},
938938
),
939939
)
940940

@@ -954,7 +954,7 @@
954954
T3 = (197, 'K'),
955955
T1 = (1540, 'K'),
956956
T2 = (10300, 'K'),
957-
efficiencies = {'Ar': 0.70, 'He': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
957+
efficiencies = {'[Ar]': 0.70, '[He]': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
958958
),
959959
)
960960

@@ -1064,7 +1064,7 @@
10641064
T3 = (1801, 'K'),
10651065
T1 = (33.1, 'K'),
10661066
T2 = (90000, 'K'),
1067-
efficiencies = {'Ar': 0.36, 'He': 0.42, 'N#N': 0.59, '[O][O]': 0.59, 'O': 3.42, '[C-]#[O+]': 0.89, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
1067+
efficiencies = {'[Ar]': 0.36, '[He]': 0.42, 'N#N': 0.59, '[O][O]': 0.59, 'O': 3.42, '[C-]#[O+]': 0.89, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
10681068
),
10691069
)
10701070

@@ -1231,7 +1231,7 @@
12311231
T3 = (151, 'K'),
12321232
T1 = (1038, 'K'),
12331233
T2 = (4970, 'K'),
1234-
efficiencies = {'Ar': 0.69, 'He': 0.70, '[O][O]': 1.00, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 1.99, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
1234+
efficiencies = {'[Ar]': 0.69, '[He]': 0.70, '[O][O]': 1.00, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 1.99, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
12351235
),
12361236
)
12371237

@@ -1277,7 +1277,7 @@
12771277
T3 = (28, 'K'),
12781278
T1 = (1000, 'K'),
12791279
T2 = (2339, 'K'),
1280-
efficiencies = {'Ar': 0.85, 'He': 0.67, '[H][H]': 2.00, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00},
1280+
efficiencies = {'[Ar]': 0.85, '[He]': 0.67, '[H][H]': 2.00, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00},
12811281
),
12821282
)
12831283

@@ -1395,7 +1395,7 @@
13951395
T3 = (50, 'K'),
13961396
T1 = (600, 'K'),
13971397
T2 = (2780, 'K'),
1398-
efficiencies = {'Ar': 0.85, 'He': 0.67, '[H][H]': 2.00, 'O': 5.97, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00},
1398+
efficiencies = {'[Ar]': 0.85, '[He]': 0.67, '[H][H]': 2.00, 'O': 5.97, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00},
13991399
),
14001400
)
14011401

@@ -1415,7 +1415,7 @@
14151415
T3 = (37050, 'K'),
14161416
T1 = (41490, 'K'),
14171417
T2 = (3980, 'K'),
1418-
efficiencies = {'Ar': 0.70, 'He': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
1418+
efficiencies = {'[Ar]': 0.70, '[He]': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
14191419
),
14201420
)
14211421

@@ -1750,7 +1750,7 @@
17501750
T3 = (132, 'K'),
17511751
T1 = (1315, 'K'),
17521752
T2 = (5566, 'K'),
1753-
efficiencies = {'Ar': 0.70, 'He': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
1753+
efficiencies = {'[Ar]': 0.70, '[He]': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
17541754
),
17551755
)
17561756

@@ -1858,7 +1858,7 @@
18581858
Ea = (49700, 'kcal/mol'),
18591859
T0 = (1, 'K'),
18601860
),
1861-
efficiencies = {'Ar': 0.69, 'He': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
1861+
efficiencies = {'[Ar]': 0.69, '[He]': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
18621862
),
18631863
)
18641864

@@ -1883,7 +1883,7 @@
18831883
T3 = (10.7, 'K'),
18841884
T1 = (1043, 'K'),
18851885
T2 = (2341, 'K'),
1886-
efficiencies = {'Ar': 0.70, 'He': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
1886+
efficiencies = {'[Ar]': 0.70, '[He]': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
18871887
),
18881888
)
18891889

@@ -1989,7 +1989,7 @@
19891989
T3 = (275, 'K'),
19901990
T1 = (1226, 'K'),
19911991
T2 = (5185, 'K'),
1992-
efficiencies = {'Ar': 0.70, 'He': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
1992+
efficiencies = {'[Ar]': 0.70, '[He]': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
19931993
),
19941994
)
19951995

@@ -2094,7 +2094,7 @@
20942094
T3 = (207.5, 'K'),
20952095
T1 = (2663, 'K'),
20962096
T2 = (6095, 'K'),
2097-
efficiencies = {'Ar': 0.70, 'He': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
2097+
efficiencies = {'[Ar]': 0.70, '[He]': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
20982098
),
20992099
)
21002100

@@ -2500,7 +2500,7 @@
25002500
Ea = (67816, 'kcal/mol'),
25012501
T0 = (1, 'K'),
25022502
),
2503-
efficiencies = {'Ar': 0.70, 'He': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.01, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
2503+
efficiencies = {'[Ar]': 0.70, '[He]': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.01, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
25042504
),
25052505
)
25062506

@@ -2525,7 +2525,7 @@
25252525
T3 = (-9147, 'K'),
25262526
T1 = (299, 'K'),
25272527
T2 = (152.4, 'K'),
2528-
efficiencies = {'Ar': 0.70, 'He': 0.70, 'N#N': 0.86, 'O': 4.92, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
2528+
efficiencies = {'[Ar]': 0.70, '[He]': 0.70, 'N#N': 0.86, 'O': 4.92, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
25292529
),
25302530
)
25312531

@@ -2648,7 +2648,7 @@
26482648
T3 = (125, 'K'),
26492649
T1 = (2219, 'K'),
26502650
T2 = (6882, 'K'),
2651-
efficiencies = {'Ar': 0.70, 'He': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
2651+
efficiencies = {'[Ar]': 0.70, '[He]': 0.70, 'O': 6.00, '[C-]#[O+]': 1.50, 'O=C=O': 2.00, 'C': 2.00, 'C=O': 2.50, 'CO': 3.00, 'CC': 3.00},
26522652
),
26532653
)
26542654

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