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The vibrational properties of fluorocarbonyl peroxynitrate, FC(O)OONO2 and chlorocarbonyl peroxynitrate, ClC(O)OONO2 were studied by means of density functional theory (DFT) methods. The obtained results served to revise the reported experimental spectra and their corresponding assignments. Subsequently, the revised data were used in the definition of scaled quantum mechanics (SQM) force fields for...
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