Metadata

• 12C-1H3-19F__OYKYT.def: "Definitions" file (text format).
• 12C-1H3-19F__OYKYT.def.json: "Definitions" file (JSON format).

Spectroscopic Model

OYKYT: line list

The OYKYT calculated high-temperature water line list of CH3F

Show files

References

1. Owens, A., Yachmenev, A., Küpper, J., Yurchenko, S. N., Thiel, W., "The rotation-vibration spectrum of methyl fluoride from first principles", Physical Chemistry Chemical Physics 21, 3496-3505 (2019). [link to article][19OwYaKu.CH3F]

OYKYT: partition function

The OYKYT calculated high-temperature water line list of CH3F

• 12C-1H3-19F__OYKYT.pf [13.2 KB]
  partition function of (12C)(1H)3(19F) computed for OYKYT

References

1. Owens, A., Yachmenev, A., Küpper, J., Yurchenko, S. N., Thiel, W., "The rotation-vibration spectrum of methyl fluoride from first principles", Physical Chemistry Chemical Physics 21, 3496-3505 (2019). [link to article][19OwYaKu.CH3F]

OYKYT: opacity

The OYKYT calculated high-temperature water line list of CH3F

• 12C-1H3-19F__OYKYT.R1000_0.3-50mu.ktable.ARCiS.fits.gz
  ARCiS k-tables at R= 1000 (0.3-50mu) in fits format (gzipped): OYKYT (12C)(1H)3(19F) line list.
• 12C-1H3-19F__OYKYT.R1000_0.3-50mu.ktable.petitRADTRANS.h5
  petitRADTRANS k-tables at R= 1000 (0.3-50mu) in HDF5 format: OYKYT (12C)(1H)3(19F) line list.
• 12C-1H3-19F__OYKYT.R1000_0.3-50mu.ktable.NEMESIS.kta
  NEMESIS k-tables at R= 1000 (0.3-50mu) in NEMESIS-kta format: OYKYT (12C)(1H)3(19F) line list.
• 12C-1H3-19F__OYKYT.R15000_0.3-50mu.xsec.TauREx.h5
  TauREx k-tables at R= 15000 (0.3-50mu) in HDF5 format: OYKYT (12C)(1H)3(19F) line list.

References

1. Owens, A., Yachmenev, A., Küpper, J., Yurchenko, S. N., Thiel, W., "The rotation-vibration spectrum of methyl fluoride from first principles", Physical Chemistry Chemical Physics 21, 3496-3505 (2019). [link to article][19OwYaKu.CH3F]
2. Chubb, K. L., Rocchetto, M., Yurchenko, S. N., Min, M., Waldmann, I., Barstow, J. K., Molliere, P., Al-Refaie, A. F, Phillips, M. W., Tennyson, J., "The ExoMolOP database: Cross sections and k-tables for molecules of interest in high-temperature exoplanet atmospheres", Astronomy and Astrophysics 646, A21 (2020). [link to article][20ChRoYu.]

OYKYT: Specific heat - heat capacity

The OYKYT calculated high-temperature water line list of CH3F

• 12C-1H3-19F__OYKYT.cp
  Heat capacity (specific heat) Cp of (12C)(1H)3(19F) in 200 K intervals to 500 K

References

1. Owens, A., Yachmenev, A., Küpper, J., Yurchenko, S. N., Thiel, W., "The rotation-vibration spectrum of methyl fluoride from first principles", Physical Chemistry Chemical Physics 21, 3496-3505 (2019). [link to article][19OwYaKu.CH3F]

OYKYT: broadening coefficients

The OYKYT calculated high-temperature water line list of CH3F

References