Abstract: In teaching reform of inorganic chemistry, integrating computational chemistry into inorganic chemistry instruction enhances teaching by making abstract concepts more accessible and visually intuitive. This approach allows for the dynamic illustration of molecular orbital structures, transition states, acid-base theories, reaction activity predictions, model construction, and surface electronic states of materials. Through targeted calculations and example-based analyses, computational chemistry fosters engagement, motivates independent student research, enriches course content, deepens students’ understanding of theoretical chemistry, and ultimately enhances teaching effectiveness in inorganic chemistry.

Key words: Computer chemistry, Inorganic chemistry education, Teaching Research