Generalized valence bond geometries

To test the generality of the jr-distortivity phenomenon and of the Valence Bond model for delocalization, it is of interest to apply the o-it partition to conjugated molecules other -than hydrocarbons, e.g. containing nitrogen, silicon or phosphorus atoms that we have kept in a constrained planar geometry. The total distortion energies, as well as their a and it components are displayed in Table 3, as calculated at the 6-31G/it-CI level. 

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