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• W2088584582 abstract "Raman vibrational frequencies and intensities of several octane conformers, taken as models for corresponding conformational sequences in polyethylene, were calculated using quantum mechanical ab initio methods. Wherever direct comparison with experimental data for polyethylene was possible, agreement was very satisfactory. The present data suggest that ab initio calculated Raman data on relatively short oligomers may provide valuable information regarding the interpretation of polymer Raman spectra, in particular concerning issues where interpretation based on experimental verification is not possible." @default.
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• W2088584582 date "1997-05-01" @default.
• W2088584582 modified "2023-09-30" @default.
• W2088584582 title "Conformational dependence of Raman frequencies and intensities in alkanes and polyethylene" @default.
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• W2088584582 doi "https://doi.org/10.1016/s0924-2031(97)00013-1" @default.
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