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Probing computational methodologies in predicting mid-infrared spectra for large polycyclic aromatic hydrocarbons
B Kerkeni, I García-Bernete, D Rigopoulou, et al. Monthly Notices of the Royal Astronomical Society 513(3) 3663 (2022) https://doi.org/10.1093/mnras/stac976
Reparameterized semi-empirical methods for computing anharmonic vibrational frequencies of multiply-bonded hydrocarbons