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(A) Computed unpolarized Raman spectrum at 11 GPa, 1,000 K with inter- and intramolecular components. (B) Unpolarized Raman spectrum at 20 GPa, 1,000 K with decomposition into intramolecular (red) and intermolecular (green) spectra. Both A and B are normalized for intensity comparison. (C) Computed IR spectra under different P, T conditions. Note the broad continuum intensity in the mid-IR region.
