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Searched refs:HCO (Results 1 – 25 of 86) sorted by relevance

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/dports/science/PETSc/petsc-3.14.1/src/ts/tutorials/
H A Dchem_meth_ethanol.inp99 HCO+M<=>H+CO+M 4.750E+11 0.66 1.487E+04
102 HCO+O2<=>CO+HO2 7.580E+12 0.00 4.100E+02
104 HCO+H<=>CO+H2 7.340E+13 0.00 0.000E+00
106 HCO+O<=>CO+OH 3.020E+13 0.00 0.000E+00
108 HCO+O<=>CO2+H 3.000E+13 0.00 0.000E+00
110 HCO+OH<=>CO+H2O 1.020E+14 0.00 0.000E+00
118 O2CHO<=>HCO+O2 1.396E+29 -4.55 4.630E+04
126 CH2O+CO<=>HCO+HCO 9.186E+13 0.37 7.304E+04
128 HCO+HCO<=>H2+CO+CO 3.000E+12 0.00 0.000E+00
142 CH2O+H<=>HCO+H2 5.740E+07 1.90 2.740E+03
[all …]
/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/test/data/
H A Dgri30.inp12 HCO CH2O CH2OH CH3O CH3OH C2H C2H2 C2H3
30 O+CH2<=>H+HCO 8.000E+13 .000 .00
32 O+CH2(S)<=>H+HCO 1.500E+13 .000 .00
38 O+HCO<=>OH+CO 3.000E+13 .000 .00
39 O+HCO<=>H+CO2 3.000E+13 .000 .00
40 O+CH2O<=>OH+HCO 3.900E+13 .000 3540.00
50 O+C2H4<=>CH3+HCO 1.250E+07 1.830 220.00
57 O2+CH2O<=>HO2+HCO 1.000E+14 .000 40000.00
88 H+HCO(+M)<=>CH2O(+M) 1.090E+12 .480 -260.00
92 H+HCO<=>H2+CO 7.340E+13 .000 .00
[all …]
H A Dch4_ion.cti6 CH2 CH2(S) CH3 HCO CH2O CH3O''',
8 HCO+ H3O+ E O2-'''],
153 species(name = 'HCO+',
226 reaction('CH + O => HCO+ + E', [2.51E+11, 0.0, 1700])
228 reaction('HCO+ + H2O => H3O+ + CO', [1.51E+15, 0.0, 0.0])
H A Dch4_ion.yaml13 - gri30.yaml/species: [H, O, OH, HO2, H2O2, C, CH, CH2, CH2(S), CH3, HCO,
15 - species: [H2, O2, H2O, CH4, CO, CO2, N2, HCO+, H3O+, E, O2-]
156 - name: HCO+
226 - equation: CH + O => HCO+ + E # Reaction 1
228 - equation: HCO+ + H2O => H3O+ + CO # Reaction 2
H A Dgri30_tran.dat84 HCO 2 498.000 3.590 0.000 0.000 0.000
H A Dptcombust-motzwise.cti10 HCO CH2O CH2OH CH3O CH3OH C2H C2H2 C2H3
H A DBM-ptcombust-Motz-Wise.yaml23 CH3, CH4, CO, CO2, HCO, CH2O, CH2OH, CH3O, CH3OH, C2H, C2H2, C2H3,
/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/data/inputs/
H A Dgri30_ion.cti7 CH2 CH2(S) CH3 HCO CH2O CH2OH CH3O
12 'HCO+ H3O+ E'],
163 species(name = 'HCO+',
180 counterpart HCO''')
220 reaction('CH + O => HCO+ + E', [2.51E+11, 0.0, 1700])
222 reaction('HCO+ + H2O => H3O+ + CO', [1.51E+15, 0.0, 0.0])
H A Dgri30_highT.cti341 species(name = "HCO",
1037 reaction( "O + CH2 <=> H + HCO", [8.00000E+13, 0, 0])
1043 reaction( "O + CH2(S) <=> H + HCO", [1.50000E+13, 0, 0])
1058 reaction( "O + HCO <=> OH + CO", [3.00000E+13, 0, 0])
1061 reaction( "O + HCO <=> H + CO2", [3.00000E+13, 0, 0])
1192 falloff_reaction( "H + HCO (+ M) <=> CH2O (+ M)",
1199 reaction( "H + HCO <=> H2 + CO", [7.34000E+13, 0, 0])
1354 reaction( "OH + CH <=> H + HCO", [3.00000E+13, 0, 0])
1385 reaction( "OH + HCO <=> H2O + CO", [5.00000E+13, 0, 0])
1462 reaction( "CH + O2 <=> O + HCO", [6.71000E+13, 0, 0])
[all …]
H A Dgri30.cti341 species(name = "HCO",
1037 reaction( "O + CH2 <=> H + HCO", [8.00000E+13, 0, 0])
1043 reaction( "O + CH2(S) <=> H + HCO", [1.50000E+13, 0, 0])
1058 reaction( "O + HCO <=> OH + CO", [3.00000E+13, 0, 0])
1061 reaction( "O + HCO <=> H + CO2", [3.00000E+13, 0, 0])
1192 falloff_reaction( "H + HCO (+ M) <=> CH2O (+ M)",
1199 reaction( "H + HCO <=> H2 + CO", [7.34000E+13, 0, 0])
1354 reaction( "OH + CH <=> H + HCO", [3.00000E+13, 0, 0])
1385 reaction( "OH + HCO <=> H2O + CO", [5.00000E+13, 0, 0])
1462 reaction( "CH + O2 <=> O + HCO", [6.71000E+13, 0, 0])
[all …]
H A Dptcombust.cti44 HCO CH2O CH2OH CH3O CH3OH C2H C2H2 C2H3
/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/data/
H A Dgri30_ion.yaml21 - gri30.yaml/species: [H, O, OH, HO2, H2O2, C, CH, CH2, CH2(S), CH3, HCO,
25 - species: [HCO+, H3O+, E]
168 - name: HCO+
187 its neutral counterpart HCO
225 - equation: CH + O => HCO+ + E # Reaction 1
227 - equation: HCO+ + H2O => H3O+ + CO # Reaction 2
H A Dgri30_highT.yaml307 - name: HCO
955 - equation: O + CH2 <=> H + HCO # Reaction 7
959 - equation: O + CH2(S) <=> H + HCO # Reaction 9
971 - equation: O + HCO <=> OH + CO # Reaction 13
973 - equation: O + HCO <=> H + CO2 # Reaction 14
975 - equation: O + CH2O <=> OH + HCO # Reaction 15
1073 - equation: H + HCO <=> H2 + CO # Reaction 55
1087 - equation: H + CH2O <=> HCO + H2 # Reaction 58
1192 - equation: OH + CH <=> H + HCO # Reaction 91
1266 - equation: CH + O2 <=> O + HCO # Reaction 125
[all …]
H A Dgri30.yaml307 - name: HCO
972 - equation: O + CH2 <=> H + HCO # Reaction 7
976 - equation: O + CH2(S) <=> H + HCO # Reaction 9
988 - equation: O + HCO <=> OH + CO # Reaction 13
990 - equation: O + HCO <=> H + CO2 # Reaction 14
992 - equation: O + CH2O <=> OH + HCO # Reaction 15
1094 - equation: H + HCO <=> H2 + CO # Reaction 55
1108 - equation: H + CH2O <=> HCO + H2 # Reaction 58
1220 - equation: OH + CH <=> H + HCO # Reaction 91
1294 - equation: CH + O2 <=> O + HCO # Reaction 125
[all …]
H A Dptcombust.yaml38 CH3, CH4, CO, CO2, HCO, CH2O, CH2OH, CH3O, CH3OH, C2H, C2H2, C2H3,
/dports/science/openbabel/openbabel-3.1.1/test/pdb_ligands_sdf/
H A D5hco_601.sdf3 Coordinates from PDB:5HCO:A:404 Model:1 without hydrogens
65 5HCO
/dports/biology/protomol/protomol/examples/argon_400/
H A Dargon.par41 COH HCO 309.000 1.096 ! carbon next to -OH, for alkanes
114 HCO COH HCO 35.5 107.22 !
115 HCO COH OAL 45.9 111.81 ! from methanol
116 HCO COH CMY 35.5 105.75 !
206 HCO COH OAL HAL 0.3000 2 0.00 ! from ethanol
208 HCO COH CMY HMY 2.5000 2 180.00 !
209 HCO COH CMY NQT 0.6000 2 0.00 !
281 HCO 0.0 -0.000000 1.0000 !
/dports/science/antioch/antioch-0.4.0-156-g90ffa43/share/antioch_default_files/
H A Dantioch_default_transport_species_data.dat91 HCO 498.000 3.590 0.000 0.000 0.000
119 HCO 498.000 3.590 0.000 0.000 0.000
H A Dantioch_default_chemical_mixture.dat16 # HCO and N2O.
88 HCO 29.01800 1.4335929400e6 3.0 0
H A Dantioch_default_chemical_species.dat66 HCO
/dports/biology/molden/molden5.8/plush/
H A DHCO1 mol="HCO" Charge="0"
/dports/science/antioch/antioch-0.4.0-156-g90ffa43/test/input_files/
H A Dtest_parsing.ASCII84 HCO 2 498.000 3.590 0.000 0.000 0.000
H A DNASA_thermo.inp71 HCO L12/89H 1C 1O 1 00G 200.000 3500.000 1000.000 1
/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/test_problems/cxx_samples/
H A Dtransport_mix_blessed.csv1 …ductivity (W/m*K),H2,H,O,O2,OH,H2O,HO2,H2O2,C,CH,CH2,CH2(S),CH3,CH4,CO,CO2,HCO,CH2O,CH2OH,CH3O,CH3…
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/tests/
H A Dreaction_entries_test.csv271 HCO,0,0,14.0,14.0,14.0,-280.38425453

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