Reactions of NO and CO with Fe(II) complexes of the tripodal trithiolate ligands NS3 and PS3* yield trigonal-bipyramidal (TBP) complexes with varying redox states and reactivity patterns with respect
The input files, log files, and scripts used for KSDFT and OFDFT calculations, along with the raw data for generating figures, are included. This data is presented in the paper...
