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Atomistic parameters and model concepts like multiplet theory and Tanabe-Sugano diagrams are widely used in molecular chemistry to understand complex electronic structures. These models are particularly useful for transition metal complexes, lanthanides, and actinides, providing a framework for predicting and interpreting electronic transitions.

They are increasingly important in predicting and explaining the magnetic properties of compounds, and helpful in interpreting the electronic spectra of coordination compounds in spectroscopy.