Structural Normalization of Topological Resonance Energy*
نویسندگان
چکیده
Topological resonance energy method, derived as a variant of Dewar resonance energy concept, and expressed by adjacency algebra formalism, has been for years applied for successful prediction of aromatic properties of conjugated organic and inorganic species. In this work a numerical value of TRE has been discussed in light of its physical meaning. Normalization method of this value has been proposed, and numerical boundary values for evaluation of the degree of aromaticity were given. The method is new and quite different from all other known methods which has been proposed and employed for TRE normalization. Versatility and stability of our normalization procedure has been shown on numerous examples.
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