Aromaticities and reactivities based on energy partitioning
A scheme based on energy partitioning via moments is proposed to deal with aromaticities and reactivities of con- jugated systems. The REPE is computed through the enumeration of cyclic fragments, thus either the finite or infinite sys- tems can be treated with facility. Point-energy, edge-energy, and ring resonance energy have been introduced for rationali- zing the site reactivity, bond lengths and local aromaticity. This approach is graphical in essence without consulting to the solution of secular equation, i.e., the energy sequence, MO(molecu1ar orbita1)'s and related quantities defined.