Infrared and Photoelectron Spectroscopic Studies of Adsorbates on Solid Surfaces: Experiments and DFT Calculations
In general, the more complex and real a system is, with all its interactions with solvents and contaminations etc., the harder it is to accurately model it and reproduce the experimental results by calculations. Similarly, modern sophisticated, advanced and higher order calculations are done for very specialized systems, often removed from any experimental equivalent. This dissertation deals with