No title
This thesis had the goal of investigate two dierent DFT methods, PBE0 and B3LYP*, and what eect those had on the calculations to see if the new DFT method, B3LYP*, would give results that better match em- pirical data. To do this three iron complexes were investigated with both methods so that the results could be compared and conclusions drawn. A forth complex were investigated with only PBE0 to
