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Semiempirical valence-bond resonance energies for alternant conjugated hydrocarbons containing four-membered rings

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Abstract

Resonance energies of alternant conjugated hydrocarbons containing six-membered and four-membered rings are discussed via the semiempirical valence bond (VB) theory. After generating the higher-order effective VB model according to cluster-expansion theory, the aromaticity or antiaromaticity of the above compounds is quantified in a correct manner. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2003

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