Lodi, L., Yurchenko, S. N., Tennyson, J., "The calculated rovibronic spectrum of scandium hydride, ScH", Molecular Physics113, 1998-2011 (2015). [link to article][15LoYuTe.ScH]
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.]
LYT: Specific heat - heat capacity
The calculated rovibronic spectrum of scandium hydride
45Sc-1H__LYT.cp Heat capacity (specific heat) Cp of (45Sc)(1H) in 200 K intervals to 5000 K
References
Lodi, L., Yurchenko, S. N., Tennyson, J., "The calculated rovibronic spectrum of scandium hydride, ScH", Molecular Physics113, 1998-2011 (2015). [link to article][15LoYuTe.ScH]
LYT: broadening coefficients
The calculated rovibronic spectrum of scandium hydride
45Sc-1H__Ar.broad ScH - Ar pressure broadening parameters (main isotopologue).
45Sc-1H__CO.broad ScH - CO pressure broadening parameters (main isotopologue).
45Sc-1H__air.broad ScH - 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).