Multi-scale modeling of Raman optical activity of biomolecules

Advisor: Petr Bouř (IOCHB CAS)

Funding: Grant supplements

Website: http://hanicka.uochb.cas.cz/~bour/

Contact: bour@uochb.cas.cz

Vibrational Raman optical activity (ROA) measures differential scattering of right and left circularly polarized light. Spectra often provide unique information about the behavior of molecules in solutions, but their interpretation is dependent on complex theoretical modeling. This includes description of interactions of molecules with the light and environment, and using quantum and classical methods to characterize studies systems. We will concentrate on newest experimental and theoretical trends, still problematic for current theory apparatus, such as resonance ROA, chirality of anharmonic vibrational transitions, and applications including nucleic acids and functional proteins.