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- W1997799707 abstract "Experimental Raman and infrared spectra of poly(p-phenylenevinylene) have been analyzed on the basis of the normal coordinate calculations based on the density functional theory method at the B3LYP/cc-pVDZ level for a model oligomer. Vibrational modes corresponding to optically active modes of an infinite polymer chain have been selected from the calculated results. On the basis of these normal vibrations, the observed vibrational spectra of poly(p-phenylenevinylene) have been explained successfully. The angles between the calculated transition dipole moment vectors and the polymer axis for some infrared bands agree with those derived from observed infrared dichroic spectrum." @default.
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- W1997799707 date "2006-03-01" @default.
- W1997799707 modified "2023-10-18" @default.
- W1997799707 title "DFT oligomer approach to vibrational spectra of poly(p-phenylenevinylene)" @default.
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- W1997799707 doi "https://doi.org/10.1016/j.vibspec.2005.03.007" @default.
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