Kristian Paul

Research Interests

The application of molecular orbital/density functional theory to study the following:

1. Chemical reactions at the mineral-water interface.  Theoretical IR spectra are quantitatively compared to a variety of experimentally derived IR spectra (transmission, diffuse, and attenuated total reflectance). 
2. Transition metal-biomolecule interactions.
3. Theoretical interpretation of X-ray absorption spectra relevant to geochemical systems.