Learning

Computational Inorganic Chemistry: From DFT Foundations to Coordination Complex Analysis

Foundations of Quantum Chemistry → Case Studies: Computational Analysis of Coordination Complexes

This learning path equips students with the knowledge and practical skills to apply computational tools—primarily DFT—to study inorganic molecules, with a focus on coordination complexes. It bridges fundamental quantum chemistry, basis set theory, and practical workflows for geometry optimization, frequency analysis, and bonding analysis via NBO and molecular orbital visualization.