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Showing 1 to 2 of 2 for “"Anharmonic spectral features"”.
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Interpretation of Infrared and Raman Spectra Using Driven Molecular Dynamics Method
… potential energy surface are used to resolve anharmonic spectral features, in particular, Fermi resonance between <em>gerade</em> symmetric N-N stretch and the <em>ungerade</em> N<sup>...</sup>H<sup>+...</sup>N bend overtone. Raman activity in the proton transfer region shows broad anharmonic …
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Path-integral studies of quantum statistical effects in vibrational spectroscopy
… difference) bands can be accounted for by the anharmonic coupling between the imaginary-time path centroid and the fluctuations around it. This coupling causes the amplitudes of the relevant centroid vibrations to be ‘Matsubara heated’ to an effective temperature that is consistent with the …