ELECTRON PAIRING AND CHEMICAL-BONDS

The recently proposed population analysis of pair densities is applied to the investigation of molecular structure of several simple molecul es. The values of pairon populations straightforwardly reproduce the c lassical structural formula including the multiplicity of the bonds an d provide thus the so far missing link between quantum chemical and Le wis's classical picture of bonding. As demonstrated, the formalism of the proposed approach provides strong theoretical evidence for the fre quently expected but so far elusive role of electron pairing in chemic al bonding.