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Simplified Sum-Over-States Approach for Predicting Resonance Raman Spectra. Application to Nucleic Acid Bases

Dmitrij Rappoport1, Sangwoo Shim1, Alán Aspuru-Guzik1

  • 1Department of Chemistry and Chemical Biology, Harvard University, 12 Oxford Street, Cambridge Massachusetts 02138, United States.

The Journal of Physical Chemistry Letters
|August 22, 2015
PubMed

Keywords:
density functional theoryelectronic excitationsnucleic acid basesresonance Raman spectravibronic coupling

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