Some considerations on the proper use of computational tools in transition metal chemistry

The current understanding of transition metal chemistry is reviewed placing the attention at the applications and applicability of computational quantum chemistry to the calculation and prediction of spectroscopic properties of transition metal complexes and molecular magnets.

Graphical abstractThe application of computational chemistry to the calculation of the spectroscopic and magnetic properties of transition metal complexes and clusters are reviewed.Figure optionsDownload full-size imageDownload as PowerPoint slide