Electronic structure of model charge transport systems: from helium dimer to DNA

In collaboration with several experimental groups (Musa Ahmed, LBNL, Steve Bradforth, USC), we investigate electronic structure and spectroscopy of building blocks of DNA in gas phase, small clusters, and in solutions. We found that weak non-covalent interactions (pi-stacking, h-bonding) have significant effect on ionization energies of nucleobases. This work contributes towards our understanding of radiative and oxidative damage of DNA.


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