Owens, A., Yachmenev, A., Küpper, J., Yurchenko, S. N., Thiel, W., "The rotation-vibration spectrum of methyl fluoride from first principles", Physical Chemistry Chemical Physics21, 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
Owens, A., Yachmenev, A., Küpper, J., Yurchenko, S. N., Thiel, W., "The rotation-vibration spectrum of methyl fluoride from first principles", Physical Chemistry Chemical Physics21, 3496-3505 (2019). [link to article][19OwYaKu.CH3F]
OYKYT: opacity
The OYKYT calculated high-temperature water line list of CH3F
Owens, A., Yachmenev, A., Küpper, J., Yurchenko, S. N., Thiel, W., "The rotation-vibration spectrum of methyl fluoride from first principles", Physical Chemistry Chemical Physics21, 3496-3505 (2019). [link to article][19OwYaKu.CH3F]
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.]
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
Owens, A., Yachmenev, A., Küpper, J., Yurchenko, S. N., Thiel, W., "The rotation-vibration spectrum of methyl fluoride from first principles", Physical Chemistry Chemical Physics21, 3496-3505 (2019). [link to article][19OwYaKu.CH3F]
OYKYT: broadening coefficients
The OYKYT calculated high-temperature water line list of CH3F