ABSTRACT
The last decade has witnessed the establishment of quantum chemical methods as a standard tool for quantitative calculations of transition metal (TM) com pounds, after numerous theoretical studies had proved that the calculated values are very accurate. The calculated data can be used to interpret experimental obser vations and to design new experiments and, thus, are very helpful for experimen tal chemistry. The theoretically predicted geometries, vibrational frequencies, bond dissociation energies, and other chemically important properties have be come reliable enough to complement and sometimes even to challenge experi mental data. This is particularly important for bond energies of TM compounds, which tend to be difficult to determine by experimental methods.
