/dports/science/PETSc/petsc-3.14.1/src/ts/tutorials/ |
H A D | chem_meth_ethanol.inp | 99 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 …]
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/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/test/data/ |
H A D | gri30.inp | 12 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 …]
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H A D | ch4_ion.cti | 6 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])
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H A D | ch4_ion.yaml | 13 - 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
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H A D | gri30_tran.dat | 84 HCO 2 498.000 3.590 0.000 0.000 0.000
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H A D | ptcombust-motzwise.cti | 10 HCO CH2O CH2OH CH3O CH3OH C2H C2H2 C2H3
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H A D | BM-ptcombust-Motz-Wise.yaml | 23 CH3, CH4, CO, CO2, HCO, CH2O, CH2OH, CH3O, CH3OH, C2H, C2H2, C2H3,
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/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/data/inputs/ |
H A D | gri30_ion.cti | 7 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])
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H A D | gri30_highT.cti | 341 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 …]
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H A D | gri30.cti | 341 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 …]
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H A D | ptcombust.cti | 44 HCO CH2O CH2OH CH3O CH3OH C2H C2H2 C2H3
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/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/data/ |
H A D | gri30_ion.yaml | 21 - 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
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H A D | gri30_highT.yaml | 307 - 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 …]
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H A D | gri30.yaml | 307 - 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 …]
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H A D | ptcombust.yaml | 38 CH3, CH4, CO, CO2, HCO, CH2O, CH2OH, CH3O, CH3OH, C2H, C2H2, C2H3,
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/dports/science/openbabel/openbabel-3.1.1/test/pdb_ligands_sdf/ |
H A D | 5hco_601.sdf | 3 Coordinates from PDB:5HCO:A:404 Model:1 without hydrogens 65 5HCO
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/dports/biology/protomol/protomol/examples/argon_400/ |
H A D | argon.par | 41 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 !
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/dports/science/antioch/antioch-0.4.0-156-g90ffa43/share/antioch_default_files/ |
H A D | antioch_default_transport_species_data.dat | 91 HCO 498.000 3.590 0.000 0.000 0.000 119 HCO 498.000 3.590 0.000 0.000 0.000
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H A D | antioch_default_chemical_mixture.dat | 16 # HCO and N2O. 88 HCO 29.01800 1.4335929400e6 3.0 0
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H A D | antioch_default_chemical_species.dat | 66 HCO
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/dports/biology/molden/molden5.8/plush/ |
H A D | HCO | 1 mol="HCO" Charge="0"
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/dports/science/antioch/antioch-0.4.0-156-g90ffa43/test/input_files/ |
H A D | test_parsing.ASCII | 84 HCO 2 498.000 3.590 0.000 0.000 0.000
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H A D | NASA_thermo.inp | 71 HCO L12/89H 1C 1O 1 00G 200.000 3500.000 1000.000 1
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/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/test_problems/cxx_samples/ |
H A D | transport_mix_blessed.csv | 1 …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…
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/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/tests/ |
H A D | reaction_entries_test.csv | 271 HCO,0,0,14.0,14.0,14.0,-280.38425453
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