Barton, E. J., Chui, C., Golpayegani, S., Yurchenko, S. N., Tennyson, J., Frohman, D. J., Bernath, P. F., "ExoMol molecular line lists V: The ro-vibrational spectra of NaCl and KCl", Monthly Notices of the Royal Astronomical Society442, 1821-1829 (2014). [link to article][14BaChGo.NaCl]
Barton: partition function
Calculated line lists for NaCl and KCl
KCl_README__Barton.txt
[1.9 KB]
Documentation for the line list and partition function of the Barton KCl data set.
39K-35Cl__Barton.pf
[73.2 KB]
Partition function for (39K)(35Cl) calculated from the energy levels of the Barton line list.
References
Barton, E. J., Chui, C., Golpayegani, S., Yurchenko, S. N., Tennyson, J., Frohman, D. J., Bernath, P. F., "ExoMol molecular line lists V: The ro-vibrational spectra of NaCl and KCl", Monthly Notices of the Royal Astronomical Society442, 1821-1829 (2014). [link to article][14BaChGo.NaCl]
Barton, E. J., Chui, C., Golpayegani, S., Yurchenko, S. N., Tennyson, J., Frohman, D. J., Bernath, P. F., "ExoMol molecular line lists V: The ro-vibrational spectra of NaCl and KCl", Monthly Notices of the Royal Astronomical Society442, 1821-1829 (2014). [link to article][14BaChGo.NaCl]
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 Astrophysics646, A21 (2020). [link to article][20ChRoYu.]
Barton: Specific heat - heat capacity
Calculated line lists for NaCl and KCl
39K-35Cl__Barton.cp Heat capacity (specific heat) Cp of (39K)(35Cl) in 200 K intervals to 3000 K
References
Barton, E. J., Chui, C., Golpayegani, S., Yurchenko, S. N., Tennyson, J., Frohman, D. J., Bernath, P. F., "ExoMol molecular line lists V: The ro-vibrational spectra of NaCl and KCl", Monthly Notices of the Royal Astronomical Society442, 1821-1829 (2014). [link to article][14BaChGo.NaCl]
39K-35Cl__air.broad KCl - air pressure broadening parameters (main isotopologue).
References
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 Instruments1, 43-47 (2022). [link to article]
Guest, E.R., Tennyson, J., Yurchenko, S.N., "Modelling the Rotational Dependence of Line Broadening using Machine Learning", Journal of Molecular Spectroscopy (2024).