SIMBAD references

Highly reliable molecular properties have been computed for the [Al, S, O]^x (x = 0, +1) molecular system. Spectroscopic parameters are predicted from analysis of each isomer's 3D potential energy surface calculated using the explicitly correlated multireference configuration interaction method, including the Davidson correction (MRCI-F12+Q). These parameters provide an accurate prediction of spectroscopic data that can be used in laboratory and observational studies of these molecules. Linear-SAlO is expected to have a large permanent dipole moment suitable for detection in the circumstellar envelopes of large, evolved, oxygen-rich stars such as VY Canis Majoris, IK Tauri, and R Doradus. Frequencies are provided for rotational transitions originating from the most highly populated rotational state based on a Boltzmann distribution. Additionally, both linear isomers exhibit a flat potential along the bending angle and are predicted to have very low bending mode frequencies (<200 cm^–1), complicating the spectra of these molecules.