Kekulรฉ-based Valence Bond Model. I. The
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Shu-Hua Li; Jing Ma; Yuan-Sheng Jiang
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Article
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2010
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John Wiley and Sons
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English
โ 806 KB
## Abstract The Kekulรฉโbased valence bond (VB) method, in which the VB model is solved using covalent Kekulรฉ structures as basis functions, is justified in the present work. This method is demonstrated to provide satisfactory descriptions for resonance energies and bond lengths of benzenoid hydroca