Topographic electronic index

These polarity descriptors combine charge and geometry. Dipole moments are used to model dipole-monopole, dipole-dipole, dipole-induced dipole, and other interactions. Both molecular dipole (fi) as well as bond dipole moments may be defined for neutral molecules. A bond dipole moment due to atoms k and / separated by distance, rki, can be defined as (]i-The topographic electronic index defined in Eq. [12] is another measure (index) of polarity.The sum extends over the number of bonded atoms, N. ... 

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