Applications in organic chemistry...

The mechanisms of chemical reactions can be studied with quantum-chemical methods. The Schrödinger equation gives an energy for each molecular structure. The energy curve for a given reaction path, which passes through different intermediate states (minima) and transition states (maxima), shows whether that particular mechanism is possible. The diagram shows possible mechanisms for how ozone, O₃, may react with unsaturated hydrocarbons so that dangerous free radicals are formed.