relating resonance energy with the zhang–zhang polynomial
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ID: 252843
2007
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Abstract
The Zhang–Zhang polynomial ζ(x) is a recently conceived tool in the mathematical apparatus of theoretical chemistry. It combines (in a quantitative manner) the Kekulé- and Clar-structure-based features of benzenoid molecules. It is shown that the topological resonance energy (TRE) can be accurately approximated as , where x ≈ 0.5, by which fact a significant insight is gained into the structure-dependence of TRE of benzenoid molecules.
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| Authors | ;SABINA GOJAK;IVAN GUTMAN;SLAVKO RADENKOVIC;ANDREJ VODOPIVEC |
| Journal | meditsinskaia radiologiia |
| Year | 2007 |
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