Introduction to Theoretical Organic Chemistry and Molecular Modelling (Hardcover, 1st)

The Hydrogen Atom and the Hydrogen Molecule.

Hückel Molecular Orbital Theory.

The PMO Method.

Aromaticity, Antiaromaticity and Resonance.

Chemical Reactivity via Hückel Theory.

Pericyclic Reactions, Orbital Symmetry, PMO and Frontier MO Theories.

Improvements on the Hückel Theory.

Molecular Modelling-Molecular Mechanics.

Molecular Modeling-Semiemprirical Methods.

Molecular Modelling-AB initio Methods and Density Functional Theory.

Molecular Modelling-NMR Spectroscopy and Moelcular Structure.