James M. LoBue
Hückel Theory I and II JCE
James M. LoBue, Georgia Southern University
These documents provide an introduction to the Heisenberg formulation of quantum mechanics.Huckel I provides an introduction to generating Huckel Theory results along with an introduction to HOMO-LUMO transition energies and the prediction of nucleophilic and electrophilic substitution. Huckel II treatsthe generation of partial charges, bond orders, and the determination of aromatic character. Since these topics have ab-initio analogs, Huckel I and II provide a "hands-on" introduction to important aspects of computational chemistry as well.