Ab initio SCF nonlinear pair population analysis. A new means of detection and localization of multicenter bonding

The formalism of pair population analysis can be applied to the level of ab initio SCF theory. This allows the visualization of the structure of a number of electron deficient boranes for which the presence of multicenter bonding is widely accepted. Statistical nonlinear population analysis can be regarded as offering new potential for the detection and localization of multicenter bonding patterns. This will in turn boost understanding of the nature of bonding in electron deficient systems.