J/A+A/588/A96ivo://CDS.VizieR/J/A+A/588/A96doi:10.26093/cds/vizier.35880096CDSBarklem P.S.Collet R.2019-10-01T12:00:40Z2016-03-23T08:22:06ZCDS support team

CDS, Observatoire de Strasbourg, 11 rue de l'Universite, F-67000 Strasbourg, France

cds-question@unistra.fratomic-physicsPartition functions and dissociation equilibrium constants are presented for 291 diatomic molecules for temperatures in the range from near absolute zero to 10000K, thus providing data for many diatomic molecules of astrophysical interest at low temperature. The calculations are based on molecular spectroscopic data from the book of Huber and Herzberg with significant improvements from the literature, especially updated data for ground states of many of the most important molecules by Irikura. Dissociation energies are collated from compilations of experimental and theoretical values. Partition functions for 284 species of atoms for all elements from H to U are also presented based on data collected at NIST. The calculated data are expected to be useful for modelling a range of low density astrophysical environments, especially star-forming regions, protoplanetary disks, the interstellar medium, and planetary and cool stellar atmospheres. The input data, which will be made available electronically, also provides a possible foundation for future improvement by the community.2016A&A...588A..96Bhttps://cdsarc.cds.unistra.fr/viz-bin/cat/J/A+A/588/A96CatalogResearchIsServedByTAP VizieR generic servicehttps://cds.unistra.fr/vizier-org/licences_vizier.htmlhttps://vizier.cds.unistra.fr/viz-bin/VizieR-2?-source=J/A+A/588/A96https://vizier.iucaa.in/viz-bin/VizieR-2?-source=J/A+A/588/A96http://vizieridia.saao.ac.za/viz-bin/VizieR-2?-source=J/A+A/588/A96https://vizier.cds.unistra.fr/viz-bin/votable?-source=J/A+A/588/A96https://vizier.iucaa.in/viz-bin/votable?-source=J/A+A/588/A96http://vizieridia.saao.ac.za/viz-bin/votable?-source=J/A+A/588/A96GETtext/xml+votablehttps://tapvizier.cds.unistra.fr/TAPVizieR/tapdefaultJ/A+A/588/A96/table1*Dissociation energiesrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintMolIdMolecule labelmeta.id;meta.maincharMolc1Molecule component atom 1phys.atmol.elementcharMolc2Molecule component atom 1phys.atmol.elementcharHH? Dissociation energy from HH (2)eVphys.energy;phys.mol.dissociationdoublenullablee_HH? Error in Dissociation energy from HH (2)eVstat.errordoublenullableLuo? Dissociation energy from Luo (2)eVphys.energy;phys.mol.dissociationdoublenullablee_Luo? Error in Dissociation energy from Luo (2)eVstat.errordoublenullableG2? Dissociation energy from G2 theory (2)eVphys.energy;phys.mol.dissociationdoublenullablee_G2? Error in Dissociation energy from G2 theory (2)eVstat.errordoublenullableDe? Dissociation energy adoptedeVphys.energy;phys.mol.dissociationdoublenullablee_De? Error in Dissociation energy adoptedeVstat.errordoublenullableJ/A+A/588/A96/listList of files in table2/*recnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintFileNameName of the file in subdirectory table2meta.id;meta.filecharTitleTitle of the file (1)meta.title;meta.filecharJ/A+A/588/A96/table4Ionisation energies for all elementsrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintAtNumAtomic numbermeta.id;meta.mainintElemElement's symbolphys.atmol.elementcharIE1First ionisation energyeVphys.energy;phys.atmol.ionizationfloatIE2? Second ionisation energy (1)eVphys.energy;phys.atmol.ionizationfloatnullableIE3? Third ionisation energy (1)eVphys.energy;phys.atmol.ionizationfloatnullableJ/A+A/588/A96/table5bReferences from table5a.datrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintTypeType of publicationmeta.codecharRefReference codemeta.notecharTextReferencemeta.ref;pos.framecharJ/A+A/588/A96/table6*Partition functions for moleculesIonIon's symbolphys.atmol.ionStagecharpf1Partition function values for T=1.00000e-05phys.atmoldoublerecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintpf2Partition function values for T=1.00000e-04phys.atmoldoublepf3Partition function values for T=1.00000e-03phys.atmoldoublepf4Partition function values for T=1.00000e-02phys.atmoldoublepf5Partition function values for T=1.00000e-01phys.atmoldoublepf6Partition function values for T=1.50000e-01phys.atmoldoublepf7Partition function values for T=2.00000e-01phys.atmoldoublepf8Partition function values for T=3.00000e-01phys.atmoldoublepf9Partition function values for T=5.00000e-01phys.atmoldoublepf10Partition function values for T=7.00000e-01phys.atmoldoublepf11Partition function values for T=1.00000e+00phys.atmoldoublepf12Partition function values for T=1.30000e+00phys.atmoldoublepf13Partition function values for T=1.70000e+00phys.atmoldoublepf14Partition function values for T=2.00000e+00phys.atmoldoublepf15Partition function values for T=3.00000e+00phys.atmoldoublepf16Partition function values for T=5.00000e+00phys.atmoldoublepf17Partition function values for T=7.00000e+00phys.atmoldoublepf18Partition function values for T=1.00000e+01phys.atmoldoublepf19Partition function values for T=1.50000e+01phys.atmoldoublepf20Partition function values for T=2.00000e+01phys.atmoldoublepf21Partition function values for T=3.00000e+01phys.atmoldoublepf22Partition function values for T=5.00000e+01phys.atmoldoublepf23Partition function values for T=7.00000e+01phys.atmoldoublepf24Partition function values for T=1.00000e+02phys.atmoldoublepf25Partition function values for T=1.30000e+02phys.atmoldoublepf26Partition function values for T=1.70000e+02phys.atmoldoublepf27Partition function values for T=2.00000e+02phys.atmoldoublepf28Partition function values for T=2.50000e+02phys.atmoldoublepf29Partition function values for T=3.00000e+02phys.atmoldoublepf30Partition function values for T=5.00000e+02phys.atmoldoublepf31Partition function values for T=7.50000e+02phys.atmoldoublepf32Partition function values for T=1.00000e+03phys.atmoldoublepf33Partition function values for T=1.50000e+03phys.atmoldoublepf34Partition function values for T=2.00000e+03phys.atmoldoublepf35Partition function values for T=3.00000e+03phys.atmoldoublepf36Partition function values for T=4.00000e+03phys.atmoldoublepf37Partition function values for T=5.00000e+03phys.atmoldoublepf38Partition function values for T=6.00000e+03phys.atmoldoublepf39Partition function values for T=7.00000e+03phys.atmoldoublepf40Partition function values for T=8.00000e+03phys.atmoldoublepf41Partition function values for T=9.00000e+03phys.atmoldoublepf42Partition function values for T=1.00000e+04phys.atmoldoubleJ/A+A/588/A96/table7*Equilibrium constants for moleculesIonIon's symbolphys.atmol.ionStagecharrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintlogpK1Equilibrium constant values for T=1.00000e-05Paphys.atmoldoublelogpK2Equilibrium constant values for T=1.00000e-04Paphys.atmoldoublelogpK3Equilibrium constant values for T=1.00000e-03Paphys.atmoldoublelogpK4Equilibrium constant values for T=1.00000e-02Paphys.atmoldoublelogpK5Equilibrium constant values for T=1.00000e-01Paphys.atmoldoublelogpK6Equilibrium constant values for T=1.50000e-01Paphys.atmoldoublelogpK7Equilibrium constant values for T=2.00000e-01Paphys.atmoldoublelogpK8Equilibrium constant values for T=3.00000e-01Paphys.atmoldoublelogpK9Equilibrium constant values for T=5.00000e-01Paphys.atmoldoublelogpK10Equilibrium constant values for T=7.00000e-01Paphys.atmoldoublelogpK11Equilibrium constant values for T=1.00000e+00Paphys.atmoldoublelogpK12Equilibrium constant values for T=1.30000e+00Paphys.atmoldoublelogpK13Equilibrium constant values for T=1.70000e+00Paphys.atmoldoublelogpK14Equilibrium constant values for T=2.00000e+00Paphys.atmoldoublelogpK15Equilibrium constant values for T=3.00000e+00Paphys.atmoldoublelogpK16Equilibrium constant values for T=5.00000e+00Paphys.atmoldoublelogpK17Equilibrium constant values for T=7.00000e+00Paphys.atmoldoublelogpK18Equilibrium constant values for T=1.00000e+01Paphys.atmoldoublelogpK19Equilibrium constant values for T=1.50000e+01Paphys.atmoldoublelogpK20Equilibrium constant values for T=2.00000e+01Paphys.atmoldoublelogpK21Equilibrium constant values for T=3.00000e+01Paphys.atmoldoublelogpK22Equilibrium constant values for T=5.00000e+01Paphys.atmoldoublelogpK23Equilibrium constant values for T=7.00000e+01Paphys.atmoldoublelogpK24Equilibrium constant values for T=1.00000e+02Paphys.atmoldoublelogpK25Equilibrium constant values for T=1.30000e+02Paphys.atmoldoublelogpK26Equilibrium constant values for T=1.70000e+02Paphys.atmoldoublelogpK27Equilibrium constant values for T=2.00000e+02Paphys.atmoldoublelogpK28Equilibrium constant values for T=2.50000e+02Paphys.atmoldoublelogpK29Equilibrium constant values for T=3.00000e+02Paphys.atmoldoublelogpK30Equilibrium constant values for T=5.00000e+02Paphys.atmoldoublelogpK31Equilibrium constant values for T=7.50000e+02Paphys.atmoldoublelogpK32Equilibrium constant values for T=1.00000e+03Paphys.atmoldoublelogpK33Equilibrium constant values for T=1.50000e+03Paphys.atmoldoublelogpK34Equilibrium constant values for T=2.00000e+03Paphys.atmoldoublelogpK35Equilibrium constant values for T=3.00000e+03Paphys.atmoldoublelogpK36Equilibrium constant values for T=4.00000e+03Paphys.atmoldoublelogpK37Equilibrium constant values for T=5.00000e+03Paphys.atmoldoublelogpK38Equilibrium constant values for T=6.00000e+03Paphys.atmoldoublelogpK39Equilibrium constant values for T=7.00000e+03Paphys.atmoldoublelogpK40Equilibrium constant values for T=8.00000e+03Paphys.atmoldoublelogpK41Equilibrium constant values for T=9.00000e+03Paphys.atmoldoublelogpK42Equilibrium constant values for T=1.00000e+04Paphys.atmoldoubleJ/A+A/588/A96/table8*Partition functions for atomsIonIon's symbolphys.atmol.ionStagecharrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintpf1Partition function values for T=1.00000e-05phys.atmoldoublepf2Partition function values for T=1.00000e-04phys.atmoldoublepf3Partition function values for T=1.00000e-03phys.atmoldoublepf4Partition function values for T=1.00000e-02phys.atmoldoublepf5Partition function values for T=1.00000e-01phys.atmoldoublepf6Partition function values for T=1.50000e-01phys.atmoldoublepf7Partition function values for T=2.00000e-01phys.atmoldoublepf8Partition function values for T=3.00000e-01phys.atmoldoublepf9Partition function values for T=5.00000e-01phys.atmoldoublepf10Partition function values for T=7.00000e-01phys.atmoldoublepf11Partition function values for T=1.00000e+00phys.atmoldoublepf12Partition function values for T=1.30000e+00phys.atmoldoublepf13Partition function values for T=1.70000e+00phys.atmoldoublepf14Partition function values for T=2.00000e+00phys.atmoldoublepf15Partition function values for T=3.00000e+00phys.atmoldoublepf16Partition function values for T=5.00000e+00phys.atmoldoublepf17Partition function values for T=7.00000e+00phys.atmoldoublepf18Partition function values for T=1.00000e+01phys.atmoldoublepf19Partition function values for T=1.50000e+01phys.atmoldoublepf20Partition function values for T=2.00000e+01phys.atmoldoublepf21Partition function values for T=3.00000e+01phys.atmoldoublepf22Partition function values for T=5.00000e+01phys.atmoldoublepf23Partition function values for T=7.00000e+01phys.atmoldoublepf24Partition function values for T=1.00000e+02phys.atmoldoublepf25Partition function values for T=1.30000e+02phys.atmoldoublepf26Partition function values for T=1.70000e+02phys.atmoldoublepf27Partition function values for T=2.00000e+02phys.atmoldoublepf28Partition function values for T=2.50000e+02phys.atmoldoublepf29Partition function values for T=3.00000e+02phys.atmoldoublepf30Partition function values for T=5.00000e+02phys.atmoldoublepf31Partition function values for T=7.50000e+02phys.atmoldoublepf32Partition function values for T=1.00000e+03phys.atmoldoublepf33Partition function values for T=1.50000e+03phys.atmoldoublepf34Partition function values for T=2.00000e+03phys.atmoldoublepf35Partition function values for T=3.00000e+03phys.atmoldoublepf36Partition function values for T=4.00000e+03phys.atmoldoublepf37Partition function values for T=5.00000e+03phys.atmoldoublepf38Partition function values for T=6.00000e+03phys.atmoldoublepf39Partition function values for T=7.00000e+03phys.atmoldoublepf40Partition function values for T=8.00000e+03phys.atmoldoublepf41Partition function values for T=9.00000e+03phys.atmoldoublepf42Partition function values for T=1.00000e+04phys.atmoldoubleJ/A+A/588/A96/table5aReferences for the atomic energy level datarecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintElem.Element's symbol (1)phys.atmol.elementcharIonIonisation stage (2)phys.atmol.ionStagecharRefCitation Keys, in table5b.dat filemeta.bibchar