Metadata

• 12C-1H3__AYYJ.def: "Definitions" file (text format).
• 12C-1H3__AYYJ.def.json: "Definitions" file (JSON format).

Spectroscopic Model

AYYJ: line list

A semi-empirical line list for CH3.

Show files

References

1. Adam, A. Y., Yachmenev, A., Yurchenko, S. N., Jensen, P., "Variationally Computed IR Line List for the Methyl Radical CH₃", The Journal of Physical Chemistry A 123, 4755-4763 (2019). [link to article][16AdYaYu.CH3]

AYYJ: partition function

A semi-empirical line list for CH3.

• 12C-1H3__AYYJ.pf
  The AYYJ line list for (12C)(1H)3: Partition function.

References

1. Adam, A. Y., Yachmenev, A., Yurchenko, S. N., Jensen, P., "Variationally Computed IR Line List for the Methyl Radical CH₃", The Journal of Physical Chemistry A 123, 4755-4763 (2019). [link to article][16AdYaYu.CH3]

AYYJ: opacity

A semi-empirical line list for CH3.

• 12C-1H3__AYYJ.R1000_0.3-50mu.ktable.ARCiS.fits.gz
  ARCiS k-tables at R= 1000 (0.3-50mu) in fits format (gzipped): AYYJ (12C)(1H)3 line list.
• 12C-1H3__AYYJ.R1000_0.3-50mu.ktable.petitRADTRANS.h5
  petitRADTRANS k-tables at R= 1000 (0.3-50mu) in HDF5 format: AYYJ (12C)(1H)3 line list.
• 12C-1H3__AYYJ.R1000_0.3-50mu.ktable.NEMESIS.kta
  NEMESIS k-tables at R= 1000 (0.3-50mu) in NEMESIS-kta format: AYYJ (12C)(1H)3 line list.
• 12C-1H3__AYYJ.R15000_0.3-50mu.xsec.TauREx.h5
  TauREx k-tables at R= 15000 (0.3-50mu) in HDF5 format: AYYJ (12C)(1H)3 line list.

References

1. Adam, A. Y., Yachmenev, A., Yurchenko, S. N., Jensen, P., "Variationally Computed IR Line List for the Methyl Radical CH₃", The Journal of Physical Chemistry A 123, 4755-4763 (2019). [link to article][16AdYaYu.CH3]
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.]

AYYJ: Specific heat - heat capacity

A semi-empirical line list for CH3.

• 12C-1H3__AYYJ.cp
  Heat capacity (specific heat) Cp of (12C)(1H)3 in 200 K intervals to 2000 K

References

1. Adam, A. Y., Yachmenev, A., Yurchenko, S. N., Jensen, P., "Variationally Computed IR Line List for the Methyl Radical CH₃", The Journal of Physical Chemistry A 123, 4755-4763 (2019). [link to article][16AdYaYu.CH3]

AYYJ: broadening coefficients

A semi-empirical line list for CH3.

Show files

References

1. Buldyreva, J., Yurchenko, S.N., Tennyson, J., "Simple semi-classical model of pressure-broadened infrared/microwave linewidths in the temperature range 200-3000 K.", RAS Techniques and Instruments 1, 43-47 (2022). [link to article]
2. Guest, E.R., Tennyson, J., Yurchenko, S.N., "Modelling the Rotational Dependence of Line Broadening using Machine Learning", Journal of Molecular Spectroscopy (2024).