A chiroptical spectroscopy tool: A strategy to extend Raman optical activity (ROA) calculations to larger chiral systems and biomolecules is presented by avoiding the evaluation of the four-center Coulomb integrals and by omitting the electric quadrupole contribution. The computational (see picture) and experimental ROA spectra of (4S)-Galaxolide® are compared to demonstrate the applicability of this methodology.
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Zuber et al. (2005) studied this question.
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