Applications of ionization spectroscopy to study small bio-molecules

Abstract

Ionization potential provides a useful quantum mechanical diagnostic for the oxidative potential of a molecule. However, to accurately predict the ionization binding energy spectra for even small biomolecules using relatively simple models is still a challenge in theoretical spectroscopy. In the progress report, recent progresses targeting core and valence binding energy spectroscopy of small bio-molecules, such as amino acids and DNA/RNA bases and their fragments, are discussed using density functional theory based models. © 2008 IOP Publishing Ltd.