Hot line lists for two isotopologues of water, H2O and H2O, are presented. The calculations employ newly constructed potential energy surfaces (PES), which take advantage of a novel method for using the large set of experimental energy levels for H2O to give high-quality predictions for H2O and H2O. This procedure greatly extends the energy range for which a PES can be accurately determined, al...

The work presented in this thesis concerns the production of high-temperature spectroscopic line lists for the SO2 and SO3 molecules, for the purposes of astrophysical, terrestrial and industrial applications. Both line lists are computed using ab initio computational methods to calculate rovibrational energy levels and dipole moment transition intensities. The hot SO2 line list is computed usi...