CHEMICAL GRAPH-THEORETICAL CLUSTER-EXPANSION AND DIAMAGNETIC SUSCEPTIBILITY
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A general computationally amenable chemical graph-theoretical cluster expansion method is described and illustrated in application to the treatment of magnetic susceptibilities. The additive cluster expansion in terms of molecular fragments is found to entail certain linear near-dependences of graph-theoretical invariants, again as illustrated for magnetic susceptibilities. The general implementation and efficacy of the method are commented upon. 1992, American Chemical Society. All rights reserved.