Frontier Molecular Orbitals (FMOs) such as the HOMO (Highest Occupied Molecular Orbital) and LUMO (Lowest Unoccupied Molecular Orbital) are particularly significant in catalysis. The interaction between the HOMO of one molecule and the LUMO of another can lead to the formation of new bonding and antibonding states. Catalysts often work by aligning their own FMOs with those of the reactants to facilitate this interaction.
