Molecular Structure Theory applies the laws of quantum physics to a molecular model. The theory assumes that matter is essentially a gas of electrons and atomic nuclei. This results in a set of mathematical equations that can be solved approximately. The principal result of this calculation is the electronic wave function that describes all properties of a molecule.
Learn more ...Chemical reactivity has first been defined based on experimental observation. The electronic wave function can be calculated directly from first principles. Several properties of the electronic wave function relate to chemical reactivity. The theory of chemical reactivity is a bridge between quantum physics and experimental (bio)chemistry.
Learn more ...Molecules like water, amino acids, nucleic acids, carbohydrates etc ... are biochemical building blocks. Quantum chemical models for these molecules have great educational value.
Learn more ...Theoretical knowledge in biochemistry and molecular biology is worded in terms of biochemical reactivity. Quantum chemistry helps to profoundly understanding the models used to explain experimental evidence.
Learn more ...Secondary metabolites are vegetable molecules with great economical value. They are mainly used as food, medicine or as cosmetic.
Learn more ...There are many software systems available for quantum chemical calculations. Some of them are free of charge.
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