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.





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