Clark, V. H. J., Owens, A., Tennyson, J., Yurchenko, S. N., "The high-temperature rotation-vibration spectrum and rotational clustering of silylene (SiH2)", Journal of Quantitative Spectroscopy and Radiative Transfer246, 106929 (2021). [link to article][21ClOwTe.SiH2]
CATS: line list
SiH2 line list CATS obtained using a refined PES and ab initio DMS, computed with TROVE
Clark, V. H. J., Owens, A., Tennyson, J., Yurchenko, S. N., "The high-temperature rotation-vibration spectrum and rotational clustering of silylene (SiH2)", Journal of Quantitative Spectroscopy and Radiative Transfer246, 106929 (2021). [link to article][21ClOwTe.SiH2]
CATS: opacity
SiH2 line list CATS obtained using a refined PES and ab initio DMS, computed with TROVE
Clark, V. H. J., Owens, A., Tennyson, J., Yurchenko, S. N., "The high-temperature rotation-vibration spectrum and rotational clustering of silylene (SiH2)", Journal of Quantitative Spectroscopy and Radiative Transfer246, 106929 (2021). [link to article][21ClOwTe.SiH2]
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.]
CATS: Specific heat - heat capacity
SiH2 line list CATS obtained using a refined PES and ab initio DMS, computed with TROVE
28Si-1H2__CATS.cp Heat capacity (specific heat) Cp of (28Si)(1H)2 in 200 K intervals to 2000 K
References
Clark, V. H. J., Owens, A., Tennyson, J., Yurchenko, S. N., "The high-temperature rotation-vibration spectrum and rotational clustering of silylene (SiH2)", Journal of Quantitative Spectroscopy and Radiative Transfer246, 106929 (2021). [link to article][21ClOwTe.SiH2]
CATS: broadening coefficients
SiH2 line list CATS obtained using a refined PES and ab initio DMS, computed with TROVE
28Si-1H2__Ar.broad SiH2 - Ar pressure broadening parameters (main isotopologue).
28Si-1H2__air.broad SiH2 - 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).