S6 - Theoretical chemistry applied to reactions

By the end of the course, the student should be able to:

• Knowledge:
  Recall key definitions, laws, models, and formulas related to molecular electronic structure, molecular orbitals, reactivity, and conjugated systems.

• Comprehension:
  Explain concepts such as Lewis structures, VSEPR geometries, molecular orbitals, frontier orbitals, and aromaticity in their own words.

• Application:
  Apply theoretical models (VSEPR, CLOA, Frontier Orbital Theory, Hückel method) to real molecules and simple chemical reactions.

• Analysis:
  Analyze molecular structure–reactivity relationships using orbital interactions and electronic effects.

• Synthesis:
  Combine different theoretical approaches (Lewis, MO theory, reactivity models) to predict molecular properties and reaction outcomes.