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- W2072712948 abstract "The equilibrium geometry and harmonic vibrational frequencies have been predicted using ab initio SCF open shell methods for the 2 A″ ground state and the 2 A′ first excited electronic state of trifluoromethyperoxy radical, CF3OO. The frequencies are scaled to predict experimental values. The tentative assignment of the vibrational spectrum of the 2 A″ state given by Butler and Snelson is re-examined in the light of this study. Other spectroscopic features have been predicted for which there are no experimental observations at present." @default.
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- W2072712948 date "1984-12-10" @default.
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- W2072712948 title "A theoretical study of the structure and vibrational spectrum of trifluoromethylperoxy radical" @default.
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- W2072712948 doi "https://doi.org/10.1080/00268978400102901" @default.
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