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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-epr-1/
H A DTEST_FILES_RESET3 NO2-EPR-1.inp
5 NO2-EPR-2.inp
9 NO2-EPR-1.inp
11 NO2-EPR-2.inp
15 NO2-EPR-1.inp
17 NO2-EPR-2.inp
21 NO2-EPR-1.inp
23 NO2-EPR-2.inp
27 NO2-EPR-1.inp
29 NO2-EPR-2.inp
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H A DTEST_FILES6 NO2-EPR-1.inp 20 2e-02 -0.0013392899999999999
7 NO2-EPR-2.inp 20 7e-01 -0.0017388499999999999
8 NO2-EPR-3.inp 20 1e+00 -0.00140565
9 NO2-EPR-keys-1.inp 20 2e-02 -0.0013716100000000001
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-epr-2/
H A DTEST_FILES_RESET3 NO2-EPR-1.inp
4 NO2-EPR-2.inp
5 NO2-EPR-3.inp
7 NO2-EPR-1.inp
9 NO2-EPR-2.inp
11 NO2-EPR-3.inp
13 NO2-EPR-1.inp
15 NO2-EPR-2.inp
17 NO2-EPR-3.inp
19 NO2-EPR-1.inp
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H A DTEST_FILES6 NO2-EPR-1.inp 20 1e-01 -0.0034456299999999999
7 NO2-EPR-2.inp 20 2e-01 -0.0025281700000000002
8 NO2-EPR-3.inp 20 4e-01 -0.0035860200000000001
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-gapw-2/
H A DTEST_FILES_RESET19 NO2-ROKS.inp
29 NO2-ROKS.inp
41 NO2-ROKS.inp
43 NO2-ROKS.inp
52 NO2-ROKS.inp
72 NO2-ROKS.inp
103 NO2-ROKS.inp
107 NO2-ROKS.inp
109 NO2-ROKS.inp
111 NO2-ROKS.inp
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-gpw-4/
H A DTEST_FILES_RESET288 NO2-EFG-1.inp
296 NO2-EFG-1.inp
300 NO2-EFG-1.inp
306 NO2-EFG-1.inp
348 NO2-EFG-1.inp
396 NO2-EFG-1.inp
425 NO2-EFG-1.inp
463 NO2-EFG-1.inp
473 NO2-EFG-1.inp
479 NO2-EFG-1.inp
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-epr-1/
H A DTEST_FILES6 NO2-EPR-1.inp 20 2e-02 -0.0013392899999999999
7 NO2-EPR-2.inp 20 7e-01 -0.0017388499999999999
8 NO2-EPR-3.inp 20 1e+00 -0.00140565
9 NO2-EPR-keys-1.inp 20 2e-02 -0.0013716100000000001
/dports/math/R-cran-gss/gss/man/
H A DNO2.Rd1 \name{NO2}
2 \alias{NO2}
9 \usage{data(NO2)}
13 \code{no2} \tab Concentration of NO2, on log scale.\cr
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-epr-2/
H A DTEST_FILES6 NO2-EPR-1.inp 20 1e-01 -0.0034456299999999999
7 NO2-EPR-2.inp 20 2e-01 -0.0025281700000000002
8 NO2-EPR-3.inp 20 4e-01 -0.0035860200000000001
/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/test/data/
H A DnoxNeg.cti5 species = """ gri30: O O2 N NO NO2 N2O N2 NH H H2O NH2 AR """,
57 three_body_reaction( "NO + O + M <=> NO2 + M", [1.06000E+20, -1.41, 0],
61 reaction( "NO2 + O <=> NO + O2", [3.90000E+12, 0, -240])
H A Dair-no-reactions.cti5 species = """ O O2 N NO NO2 N2O N2 AR """,
13 species = """ O O2 N NO NO2 N2O N2 """,
74 species(name = "NO2",
H A DnoxNeg.yaml10 - gri30.yaml/species: [O, O2, N, NO, NO2, N2O, N2, NH, H, H2O, NH2, AR]
49 - equation: NO + O + M <=> NO2 + M
53 - equation: NO2 + O <=> NO + O2
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-all-electron/
H A DTEST_FILES_RESET4 NO2-rhotot-cube.inp
10 NO2-rhotot-cube.inp
/dports/science/antioch/antioch-0.4.0-156-g90ffa43/share/antioch_default_files/
H A Dantioch_default_vibrational_data.dat79 NO2 1.07900e+03 1
80 NO2 1.90000e+03 1
81 NO2 2.32700e+03 1
/dports/science/grib_api/grib_api-1.28.0-Source/definitions/grib1/
H A D2.82.128.table20 31 no2 NO2 NO2/NO2 -
33 44 nox NOX NOX/NOX as NO2 -
35 46 no2_n NO2_N NO2_N/NO2 as N -
36 47 nox_n NOX_N NOX_N/NO2+NO (NOx) as nitrogen -
53 65 ox OX OX/Ox=O3+NO2 -
/dports/science/eccodes/eccodes-2.23.0-Source/definitions/grib1/
H A D2.82.128.table20 31 no2 NO2 NO2/NO2 -
33 44 nox NOX NOX/NOX as NO2 -
35 46 no2_n NO2_N NO2_N/NO2 as N -
36 47 nox_n NOX_N NOX_N/NO2+NO (NOx) as nitrogen -
53 65 ox OX OX/Ox=O3+NO2 -
/dports/science/cdk/cdk-cdk-2.3/base/testdata/src/test/resources/data/mdl/
H A Dbug1587283.mol37 NO2
43 M SMT 1 NO2
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/FileParsers/sgroup_test_data/
H A DSgroups_Abbreviations.mol30 NO2
38 M SMT 1 NO2
/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/data/inputs/
H A Dair.cti12 species = """ O O2 N NO NO2 N2O N2 AR """,
97 species(name = "NO2",
198 three_body_reaction( "NO + O + M <=> NO2 + M", [1.06000E+20, -1.41, 0],
202 reaction( "NO2 + O <=> NO + O2", [3.90000E+12, 0, -240])
/dports/math/py-pyodesys/pyodesys-0.14.1/examples/
H A D_convert_to_autonomous_eyring_sinusoidal.ipynb24 "# 2 HNO2 -> H2O + NO + NO2; MassAction(EyringHS.fk('dH1', 'dS1'))\n",
25 "# 2 NO2 -> N2O4; MassAction(EyringHS.fk('dH2', 'dS2'))\n",
27 "# HNO2 H2O NO NO2 N2O4\n",
29 " names = 'HNO2 H2O NO NO2 N2O4'.split()\n",
32 " HNO2, H2O, NO, NO2, N2O4 = [y[k] for k in (names if dep_by_name else range(5))]\n",
43 " r2 = k2*NO2**2\n",
202 "ic = dict(HNO2=1, H2O=55, NO=0, NO2=0, N2O4=0)\n",
/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/test_problems/CpJump/
H A Dbad_air.yaml12 species: [O, O2, N, NO, NO2, N2O, N2, AR]
89 - name: NO2
174 - equation: NO + O + M <=> NO2 + M # Reaction 7
178 - equation: NO2 + O <=> NO + O2 # Reaction 8
/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/data/
H A Dair.yaml16 species: [O, O2, N, NO, NO2, N2O, N2, AR]
90 - name: NO2
177 - equation: NO + O + M <=> NO2 + M # Reaction 7
181 - equation: NO2 + O <=> NO + O2 # Reaction 8
/dports/science/py-chempy/chempy-0.8.2/examples/
H A D_kinetics_ode_time_dependent_units.ipynb28 "2 HNO2 -> H2O + NO + NO2; EyringParam(dH=85e3*J/mol, dS=10*J/K/mol)\n",
29 "2 NO2 -> N2O4; EyringParam(dH=70e3*J/mol, dS=20*J/K/mol)\n",
77 " result.plot(names='NO HNO2 N2O4 NO2'.split())\n",
H A Dkinetics_ode_time_dependent.ipynb32 "2 HNO2 -> H2O + NO + NO2; EyringParam(dH=85e3, dS=10)\n",
33 "2 NO2 -> N2O4; EyringParam(dH=70e3, dS=20)\n",
80 " result.plot(names='NO HNO2 N2O4 NO2'.split(), title_info=2)\n",
/dports/science/cp2k-data/cp2k-7.1.0/tests/SE/regtest/
H A DTEST_FILES_RESET48 NO2-ROKS.inp
88 NO2-ROKS.inp
108 NO2-ROKS.inp
114 NO2-ROKS.inp
138 NO2-ROKS.inp
154 NO2-ROKS.inp
177 NO2-ROKS.inp
189 NO2-ROKS.inp
757 NO2-ROKS.inp
785 NO2-ROKS.inp
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