Relating resonance energy with the Zhang-Zhang polynomial
| Autor: | Gojak Sabina, Gutman Ivan, Radenković Slavko, Vodopivec Andrej |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2007 |
| Předmět: | |
| Zdroj: | Journal of the Serbian Chemical Society, Vol 72, Iss 7, Pp 665-671 (2007) |
| Druh dokumentu: | article |
| ISSN: | 0352-5139 1820-7421 |
| DOI: | 10.2298/JSC0707665G |
| Popis: | 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 TRE ≈ a√ζ(x)+ b where x≈0.5, by which fact a significant insight is gained into the structure-dependence of TRE of benzenoid molecules. |
| Databáze: | Directory of Open Access Journals |
| Externí odkaz: |
|