Mant B. P., Chubb K. L., Yachmenev A., Tennyson J., Yurchenko S. N., "The Infrared Spectrum of PF3 and analysis of rotational energy clustering effect", Molecular PhysicsIn press, 1-14 (2019). [link to article][19MaChYa.PF3]
MCYTY: partition function
The MCYTY calculated room temperature PF3 line list
31P-19F3__MCYTY.pf The partition function file of the MCYTY-(31P)(19F)3 line list.
References
Mant B. P., Chubb K. L., Yachmenev A., Tennyson J., Yurchenko S. N., "The Infrared Spectrum of PF3 and analysis of rotational energy clustering effect", Molecular PhysicsIn press, 1-14 (2019). [link to article][19MaChYa.PF3]
MCYTY: Specific heat - heat capacity
The MCYTY calculated room temperature PF3 line list
31P-19F3__MCYTY.cp Heat capacity (specific heat) Cp of (31P)(19F)3 in 200 K intervals to 400 K
References
Mant B. P., Chubb K. L., Yachmenev A., Tennyson J., Yurchenko S. N., "The Infrared Spectrum of PF3 and analysis of rotational energy clustering effect", Molecular PhysicsIn press, 1-14 (2019). [link to article][19MaChYa.PF3]