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exomol.com

exomol.com: Description, maintenance, issues, feature requests, scripts etc

Updates:

  • 04.05.2025: ExoMolOP opacities of H2CS have been added. They were produced using the MOTY line list.
  • 27.04.2025: ExoMol P=0 cross sections for VO (HyVO) have been added
  • 21.04.2025: Opacities for CaCl-37 (visible bands) added.
  • 21.04.2025: Opacities for CaCl-35 (visible bands) added.
  • 19.04.2025: ExoMol P=0 cross sections for OH (MYTHOS) have been added
  • 19.04.2025: ExoMol P=0 cross sections for CH+ have been added
  • 19.04.2025: ExoMol P=0 cross sections for CN have been replaced with the most recent set covering ABX bands (<59000 cm-1)
  • 19.04.2025: ExoMol P=0 cross sections for CaCl-35 have been added
  • 19.04.2025: ExoMol P=0 cross sections for YO have been added
  • 19.04.2025: Opacities for CaF-40 (visible bands) added.
  • 27.03.2025: Cross sections for OCS have been added
  • 24.01.2025: CaF MoLLIST line list by Bernath's group has been added
  • 01.01.2024: CO2 self-broadening n=1 values have been updated to Devi (2007).
  • 26.12.2024: C3: line broadening (semi-classical) have been added for multiple broadeners
  • 22.12.2024: OCS line list: .trans files have been updated by removing duplicates
  • 15.12.2024: 14N15N16O TYM line list has been updated. The initial line list was incorrect.
  • 15.12.2024: 58NiH partition function was too small and was updated to a correct one
  • 15.12.2024: ScO line list A-X is added from Bernath and Co
  • 14.12.2024: Experimental Photo-dissociation cross-sections of C2H2 photo-FPBVVTFGSJOE by Fleury et al. (2024)/
  • 06.09.2024: Prelimenary IR line lists BYOT for NiH have been uploaded to ExoMol.
  • 27.09.2024: New N2O ExoMol linelists TYM (4 isotopologues) are made available
  • 26.09.2024: New NH3-15 ExoMol linelists CoYuTe-15 is made available
  • 21.09.2024: Broken link to 51V-16O__HyVO__21000-21500.trans.bz2 has been repared and this file should be accesible now.
  • 16.09.2024: 28Si-1H__SiGHTLY.states file updated. The end of the file was corrupted and is now replaced.
  • 18.08.2024: Spectroscopic models for PH3, SO3 and H2O2 were added (TROVE input files).
  • 08.08.2024: MoLLIST line lists for 40Ca35Cl and 40Ca37Cl from Lavy and Bernath (2024).
  • 24.7.2024: Lots of line broadening paramters for air generated using ML (Guest et al. 2024).
  • 04.05.2024: The N2 line list WCCRMT has been extended to include the C-B system recently constructed by Jans (2024).
  • 01.07.2024: Broken links on the HyVO webpage to 51V-16O__HyVO__09000-09500.trans.bz2 and 51V-16O__HyVO__38000-38500.trans.bz2 have been fixed.
  • 20.06.2024: TiO opacities of the ToTo line list have been generated for all the minor isotopologues and updated for the main one.
  • 09.05.2024: The Toto TiO line lists have been updated to the recently QuadHybrid-MARVELised versions of the states files with the .trans files cleaned by removing negative frequencies. The paper describing the update is under review.
  • 05.05.2024: Preliminary line list for PN PaiN is now available at exomol. The manuscript is under review.
  • 01.05.2024: Opacitis of the XAB line list for MgH and CaH are provided: three isotopologues of MgH as well as compbined opacity assuming solar abundance.
  • 27.04.2024: 24Mg-18O line list LiTY has been replaced with the correct data. The previous version was found to be wrong (a copy of 24Mg-17O).
  • 26.04.2024: HBO line lists (1H-10B-16O and 1H-11B-16O) LQL by Li, Qin, Liu are now available.
  • 15.04.2024: 32S-16O__SOLIS opacities are now available for the SO line list of the main isotopologue.
  • 7.04.2024: A new hot line list OYT8 for OCS is added together with opacities.
  • 28.03.2024: 28Si-16O__SiOUVenIR opacities are now available for the SiO line list of the main isotopologue.
  • 29.02.2024: The line list MoLLIST is renamed to MoLLIST-NH to break the degeneracy with other MoLLIST line lists.
  • 28.02.2024: New linelist for NH kNigHt is added for four isotopologues.
  • 11.02.2024: 1H-12C-14N__Harris.states, lifetimes added.
  • 13.01.2024: A new line list for CH4 has been uploaded (MM).
  • 01.01.2024: A new line list AloHa for AlH has been added.
  • 01.01.2024: A new line list BRYTS for YO has been added.
  • 01.01.2024: A new line list PT for CH+ has been added.
  • 01.01.2024: Line broadening parameters for lots of fifferent species have been added.
  • 23.10.2023: A bug in the 1H35Cl cross sections app was fixed. The cross sectons should be working now.
  • 08.10.2023: H2S DVR3D model files for AYT2 line list were added.
  • 04.10.2023: The CH3Cl OYT TauRex opacity tables have been recomputed, which were reported to be corupted.
  • 23.09.2023: The LaO line list BND by Bernath et al. has been updated by including the A-X band from the recent publication by Bernath et al. (2023).
  • 19.09.2023: a few MARVELised dupplicates from 1H2-18O__HotWat78.states and 1H2-17O__HotWat78.states were removed by re-MARVELising the corresponding energies.
  • 5.09.2023: 1H2__ARLR electronic line list for H2 is added, built from an H2 line list by Abgrall et al., Can. J. Phys., 72, (1994) 856-865.
  • 5.09.2023: in 1H2-18O__HotWat78.states and 1H2-17O__HotWat78.states (MARVELised) the original calculated energies are added as the last column, see Polyansky (2017) for details.
  • 4.09.2023: HITRAN-HBr Line list is added for 1H-79Br and opacity tables for a natural abundance combination of two main isotopoligues.
  • 4.09.2023: Opacities for HF are added to the Coxon-Hajig line list.
  • 26.08.2023: 1H2__RACPPK.trans: the Einstein coefficients were updated to the correct data from the original publication. The previos version used an effective Einstein coefficient for a level as a totoal emission.
  • 31.07.2023: 14N2__WCCRMT.cp was added from J Phys Chem Ref Data 52, 023101 (2023)
  • 31.07.2023: 14N2__WCCRMT.pf was updated from J Phys Chem Ref Data 52, 023101 (2023), https://doi.org/10.1063/5.0137083
  • 22.07.2023: 26Al-1H__AlHambra.states corrected: four states had MARVEL energies misplaced.
  • 18.07.2023: ZrO line list ZorrO with isotopologues by Perri et al. has been uploaded, with cross sections
  • 16.07.2023 CH+ line list PYT has been provided, for 12C and 13C.
  • 12.07.2023: CaOH opacities were added.
  • 12.07.2023: LiOH line was added together with cross sections and opacities. The paper is to be submitted.
  • 4.07.2023: H2CO AYTY .def file was upated: the description of the QN columns was corrected
  • 3.07.2023: SO2 line list MARVELised: calculated energies have been replaced with experimental ones plus uncertanties
  • 29.06.2023: Cross-sections app for NaH has been activated.
  • 21.06.2023: The format of the POKAZATEL H2O-16 was updated: the original energies were added, lables "-2" changed to "NaN", "m" and "e" to "Ma" and "Ca", respectively.
  • 23.05.2023: The CaOH line list is available again. The .trans data for X-X transitions (Einstein A coefficients) have been recomputed and the cross sections have been regenerated.
  • 01.05.2023: The CaOH line list is temporally unavailable due to some issues with the Einstein coefficients of the X-X band.
  • 20.02.2023: 40Ca-16O__VBATHY.states file updated: two coulmns were added, a column with pure calculated energies and a column with labels Ca and Ma, indicating which calculated (Ca) energies were substituted by experimental ones (Ma).
  • 24.01.2023: new D2H+ MiZo line list has been created.
  • 24.01.2023: new D3+ MiZo line list has been created.
  • 23.01.2023: H2D+ SP line list: states file has been updated with the MARVEL energies.
  • 23.01.2023: H3+ MiZATeP line list: States file has been marvelised.
  • 15.01.2023: SiN SiNFull line list: .trans files for minor isotopologues have been updated. These files had problems with many states IDs missing.
  • 05.01.2023: A new ZrO line list (B-X band) by Sorensen and Bernath, The Astrophysical Journal 923, 234 (2021).
  • 05.01.2023: Atomic Opacities added for Na and K.
  • 01.01.2022: The MolLLIST line lists for 27Al37Cl and 27Al35Cl are renamed to MoLLIST-AlCl in order to break degeneracy with other MoLLIST line lists.
  • 01.01.2023: A new line list YNAT for AlCl is added for two isotopologues 27Al37Cl and 27Al35Cl
  • 16.11.2022: 31P-1H__LaTY line list: broken link was corrected.
  • 28.10.2022: 40Ca-1H__XAB.trans.bz2 updated: spurious transitions to an artificial D states are fuly removed.
  • 29.09.2022: .def files of H2S and SO2 are updated to make consistent with their .states files.
  • 26.09.2022: Line lists for isotopologues of Si-N (SiNfull) are added.
  • 26.09.2022: A new LaO line list by Bernath, P. F., Dodangodage, R., Liévin, J., "S-type Stars: LaO Line List for the B2Σ+–X2Σ+Band System", The Astrophysical Journal 933, 99-105 (2022).
  • 19.09.2022: H2S AYT2 line list: States file MARVELised
  • 18.09.2022: In C2H2 aCeTY States file, a column with Ca and Ma is added; the second set (duplicate) of the vibrational QNs is removed. The unc. and the 2nd Energy columns are reformatted.
  • 17.09.2022: A missing parition function file for HD (ADJSAAM) is added.
  • 10.08.2022: 28Si-14N__SiNfull line list is added.
  • 05.08.2022: The 40Ca-16O-1H__OYT6 line list is added.

Opacities missing

Molecule
LaO

Line broadening parameters are missing

Molecule Air All
NiH
FeH
CH
CrH
HF
HBr
YO
NaO
LaO
ZrO
ScO
NO
SO
O2
CH+
H3O+
H3+
H3H+
H2+
C2
AlF
N2
SiH
CaCl
H2O
CO2
SO2
HCN
H2CS
H2CO
p2H2
PH3
C2H2
C2H4
N2O
H2S
OCS
SO3
LiOH
HBO
CH4
NH3
HNO3
H2O2
CH3F
CH3Cl

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