Quantification of intermolecular

Quantification of Intermolecular Similarity Using Substructural Parameters... 

The application of RPR in the detection and quantification of species formed by spin-trapping the products of radical-monomer reactions is described in Section 3.5.2.1, The application of time-resolved F.PR spectroscopy to study intermolecular radical-alkene reactions in solution is mentioned in Section 3.5.1. 

An analysis of the Laplace concentration, (r), yields information about the extent of through-space interactions and the concomitant changes in the molecular properties. Hence, a clear distinction between the various modes of intermolecular interactions should be possible. However, a quantification of these changes again needs an appropriate reference, something which in most cases is not present. Therefore, a description of homoconjugative interactions in terms of the Laplace concentrations has only been applied in selected cases" but has not been worked out to a more general description of no-bond homoaromaticity. 

Grohn, F., and Antonietti, M. Intermolecular structure of spherical polyelectrolyte mi-crogels in salt-free solution. 1. quantification of the attraction between equally charged polyelectrolytes. Macromolecules, 2000,33, No. 16, p. 5938-5949. 

These two semi-quantitative principles, close packing and direction-specific interactions, would be quantified and combined in sufficiently reaUstic model intermolecular potentials for modelUng the organic soHd state. The development of model intermolecular potentials outhned in this review could be seen as starting from simple quantification of the close-packing principle, with continuing refinement by the addition of the contributions that determine the specific interactions. Thus, the earliest atom-atom potentials as reviewed by Pertsin and Kitaigorodsky [18] were mainly of the form... 

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