Outcome 1
Predict relative energies and locations of frontier molecular orbitals for organic molecules of intermediate complexity using linear combinations of atomic orbitals and hybridized orbital approaches.
Outcome 2
Perform calculations using ab initio, semi-empirical, density functional, and molecular mechanics approaches to predict energies and structures of ground and transition states.
Outcome 3
Use reaction kinetics, linear free energy relationships, isotope labeling, stereo-electronic effects and stereochemical outcomes to determine reaction mechanisms.
Outcome 4
Predict reaction mechanisms of major classes of organic reactions, including substitutions, eliminations, additions and radical reactions.
Outcome 5
Recognize the impact of non-covalent interactions in complex systems and reaction mechanisms.
