The impact of density functional theory (DFT) on computational quantum chemistry over the past two decades is profound, transforming from a theoretical curiosity to a vital tool for computational chemists. Inorganic chemistry has particularly benefited from this evolution, as DFT allows for reliable results on complex systems with heavy elements, such as d and f transition metals, within feasible timeframes. This advancement has significantly expanded the field of computational inorganic chemistry, evident in the modern literature where numerous papers focus on DFT calculations. The rise of DFT has fostered a closer synergy between theory and experiment, enhancing research quality and collaboration. In these volumes, leading researchers present recent developments in DFT and its applications in both inorganic and bioinorganic chemistry. The articles cover essential topics in solid-state and molecular inorganic chemistry, including spectroscopy, mechanisms, catalysis, bonding, and magnetism. Volume I emphasizes advancements in DFT methodology, while Volume II is more application-oriented, though the distinction is not rigid. Together, these contributions highlight the transformative role of DFT in advancing our understanding of inorganic chemistry.
