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- W2365967550 abstract "The vibrational infrared spectra and Raman spectra of three perfluoroalkyl iodides(CF_3I、C_2F_5I and n-C_3F_7I) were calculated by using ab initio molecular orbital theory at the HF、MP2 and B3LYP levels. To every frequency,the symmetries of vibrational modes,relative intensities of infrared spectra and Raman activities were given.Comparisons between calculated and experimental spectra of the three perfluoroalkyl iodides were made and the result showed that theoretical calculation was in good agreement with experimental values." @default.
- W2365967550 created "2016-06-24" @default.
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- W2365967550 date "2005-01-01" @default.
- W2365967550 modified "2023-09-26" @default.
- W2365967550 title "Theoretical study on vibrational spectra of several perfluoroalkyl iodides" @default.
- W2365967550 hasPublicationYear "2005" @default.
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