300
1
H2:1.0
O H Ar
H2 H O O2 OH H2O HO2 H2O2 AR
TPIS78
H:2
0.000000000E+00
2.344331120E+00, 7.980520750E-03, -1.947815100E-05,
2.015720940E-08, -7.376117610E-12, -9.179351730E+02,
6.830102380E-01
3.337279200E+00, -4.940247310E-05, 4.994567780E-07,
-1.795663940E-10, 2.002553760E-14, -9.501589220E+02,
-3.205023310E+00
linear
3.800000000E+01
2.920000000E+00
0.000000000E+00
7.900000000E-01
2.800000000E+02
L 7/88
H:1
0.000000000E+00
2.500000000E+00, 7.053328190E-13, -1.995919640E-15,
2.300816320E-18, -9.277323320E-22, 2.547365990E+04,
-4.466828530E-01
2.500000010E+00, -2.308429730E-11, 1.615619480E-14,
-4.735152350E-18, 4.981973570E-22, 2.547365990E+04,
-4.466829140E-01
atom
1.450000000E+02
2.050000000E+00
0.000000000E+00
0.000000000E+00
0.000000000E+00
L 1/90
O:1
0.000000000E+00
3.168267100E+00, -3.279318840E-03, 6.643063960E-06,
-6.128066240E-09, 2.112659710E-12, 2.912225920E+04,
2.051933460E+00
2.569420780E+00, -8.597411370E-05, 4.194845890E-08,
-1.001777990E-11, 1.228336910E-15, 2.921757910E+04,
4.784338640E+00
atom
8.000000000E+01
2.750000000E+00
0.000000000E+00
0.000000000E+00
0.000000000E+00
TPIS89
O:2
0.000000000E+00
3.782456360E+00, -2.996734160E-03, 9.847302010E-06,
-9.681295090E-09, 3.243728370E-12, -1.063943560E+03,
3.657675730E+00
3.282537840E+00, 1.483087540E-03, -7.579666690E-07,
2.094705550E-10, -2.167177940E-14, -1.088457720E+03,
5.453231290E+00
linear
1.074000000E+02
3.458000000E+00
0.000000000E+00
1.600000000E+00
3.800000000E+00
RUS 78
O:1 H:1
0.000000000E+00
3.992015430E+00, -2.401317520E-03, 4.617938410E-06,
-3.881133330E-09, 1.364114700E-12, 3.615080560E+03,
-1.039254580E-01
3.092887670E+00, 5.484297160E-04, 1.265052280E-07,
-8.794615560E-11, 1.174123760E-14, 3.858657000E+03,
4.476696100E+00
linear
8.000000000E+01
2.750000000E+00
0.000000000E+00
0.000000000E+00
0.000000000E+00
L 8/89
H:2 O:1
0.000000000E+00
4.198640560E+00, -2.036434100E-03, 6.520402110E-06,
-5.487970620E-09, 1.771978170E-12, -3.029372670E+04,
-8.490322080E-01
3.033992490E+00, 2.176918040E-03, -1.640725180E-07,
-9.704198700E-11, 1.682009920E-14, -3.000429710E+04,
4.966770100E+00
nonlinear
5.724000000E+02
2.605000000E+00
1.844000000E+00
0.000000000E+00
4.000000000E+00
L 5/89
H:1 O:2
0.000000000E+00
4.301798010E+00, -4.749120510E-03, 2.115828910E-05,
-2.427638940E-08, 9.292251240E-12, 2.948080400E+02,
3.716662450E+00
4.017210900E+00, 2.239820130E-03, -6.336581500E-07,
1.142463700E-10, -1.079085350E-14, 1.118567130E+02,
3.785102150E+00
nonlinear
1.074000000E+02
3.458000000E+00
0.000000000E+00
0.000000000E+00
1.000000000E+00
L 7/88
H:2 O:2
0.000000000E+00
4.276112690E+00, -5.428224170E-04, 1.673357010E-05,
-2.157708130E-08, 8.624543630E-12, -1.770258210E+04,
3.435050740E+00
4.165002850E+00, 4.908316940E-03, -1.901392250E-06,
3.711859860E-10, -2.879083050E-14, -1.786178770E+04,
2.916156620E+00
nonlinear
1.074000000E+02
3.458000000E+00
0.000000000E+00
0.000000000E+00
3.800000000E+00
120186
Ar:1
0.000000000E+00
2.500000000E+00, 0.000000000E+00, 0.000000000E+00,
0.000000000E+00, 0.000000000E+00, -7.453750000E+02,
4.366000000E+00
2.500000000E+00, 0.000000000E+00, 0.000000000E+00,
0.000000000E+00, 0.000000000E+00, -7.453750000E+02,
4.366000000E+00
atom
1.365000000E+02
3.330000000E+00
0.000000000E+00
0.000000000E+00
0.000000000E+00
2 O + M [=] O2 + M
O:2
O2:1
1.200000000E+17
-1.000000000E+00
0.000000000E+00
AR:0.83 H2:2.4 H2O:15.4
O + H + M [=] OH + M
O:1 H:1
OH:1
5.000000000E+17
-1.000000000E+00
0.000000000E+00
AR:0.7 H2:2 H2O:6
O + H2 [=] H + OH
O:1 H2:1
H:1 OH:1
3.870000000E+04
2.700000000E+00
6.260000000E+03
O + HO2 [=] OH + O2
O:1 HO2:1
OH:1 O2:1
2.000000000E+13
0.000000000E+00
0.000000000E+00
O + H2O2 [=] OH + HO2
O:1 H2O2:1
OH:1 HO2:1
9.630000000E+06
2.000000000E+00
4.000000000E+03
H + 2 O2 [=] HO2 + O2
H:1 O2:2
HO2:1 O2:1
2.080000000E+19
-1.240000000E+00
0.000000000E+00
H + O2 + H2O [=] HO2 + H2O
H:1 O2:1 H2O:1
HO2:1 H2O:1
1.126000000E+19
-7.600000000E-01
0.000000000E+00
H + O2 + AR [=] HO2 + AR
H:1 O2:1 AR:1
HO2:1 AR:1
7.000000000E+17
-8.000000000E-01
0.000000000E+00
H + O2 [=] O + OH
H:1 O2:1
O:1 OH:1
2.650000000E+16
-6.707000000E-01
1.704100000E+04
2 H + M [=] H2 + M
H:2
H2:1
1.000000000E+18
-1.000000000E+00
0.000000000E+00
AR:0.63 H2:0 H2O:0
2 H + H2 [=] 2 H2
H:2 H2:1
H2:2
9.000000000E+16
-6.000000000E-01
0.000000000E+00
2 H + H2O [=] H2 + H2O
H:2 H2O:1
H2:1 H2O:1
6.000000000E+19
-1.250000000E+00
0.000000000E+00
H + OH + M [=] H2O + M
H:1 OH:1
H2O:1
2.200000000E+22
-2.000000000E+00
0.000000000E+00
AR:0.38 H2:0.73 H2O:3.65
H + HO2 [=] O + H2O
H:1 HO2:1
O:1 H2O:1
3.970000000E+12
0.000000000E+00
6.710000000E+02
H + HO2 [=] O2 + H2
H:1 HO2:1
O2:1 H2:1
4.480000000E+13
0.000000000E+00
1.068000000E+03
H + HO2 [=] 2 OH
H:1 HO2:1
OH:2
8.400000000E+13
0.000000000E+00
6.350000000E+02
H + H2O2 [=] HO2 + H2
H:1 H2O2:1
HO2:1 H2:1
1.210000000E+07
2.000000000E+00
5.200000000E+03
H + H2O2 [=] OH + H2O
H:1 H2O2:1
OH:1 H2O:1
1.000000000E+13
0.000000000E+00
3.600000000E+03
OH + H2 [=] H + H2O
OH:1 H2:1
H:1 H2O:1
2.160000000E+08
1.510000000E+00
3.430000000E+03
2 OH (+ M) [=] H2O2 (+ M)
OH:2
H2O2:1
7.400000000E+13
-3.700000000E-01
0.000000000E+00
2.300000000E+18
-9.000000000E-01
-1.700000000E+03
0.7346 94 1756 5182
AR:0.7 H2:2 H2O:6
2 OH [=] O + H2O
OH:2
O:1 H2O:1
3.570000000E+04
2.400000000E+00
-2.110000000E+03
OH + HO2 [=] O2 + H2O
OH:1 HO2:1
O2:1 H2O:1
1.450000000E+13
0.000000000E+00
-5.000000000E+02
idtag_rxn_27
OH + H2O2 [=] HO2 + H2O
OH:1 H2O2:1
HO2:1 H2O:1
2.000000000E+12
0.000000000E+00
4.270000000E+02
idtag_rxn_24
OH + H2O2 [=] HO2 + H2O
OH:1 H2O2:1
HO2:1 H2O:1
1.700000000E+18
0.000000000E+00
2.941000000E+04
idtag_rxn_23
2 HO2 [=] O2 + H2O2
HO2:2
O2:1 H2O2:1
1.300000000E+11
0.000000000E+00
-1.630000000E+03
idtag_rxn_26
2 HO2 [=] O2 + H2O2
HO2:2
O2:1 H2O2:1
4.200000000E+14
0.000000000E+00
1.200000000E+04
idtag_rxn_25
OH + HO2 [=] O2 + H2O
OH:1 HO2:1
O2:1 H2O:1
5.000000000E+15
0.000000000E+00
1.733000000E+04
idtag_rxn_22