Quantum mechanical predictions of chiroptical vibrational properties

  • Polavarapu P
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Abstract

The developments in quantum mechanical calculations of vibrational circular dichroism, vibrational Raman optical activity, and vibrational contributions to optical rotation are summarized. Further developments needed in each of these areas are pointed out.

Author-supplied keywords

  • Density functional methods
  • Optical rotation
  • Quantum theoretical methods
  • Vibrational Raman optical activity
  • Vibrational circular dichroism

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