Relating resonance energy with the Zhang-Zhang polynomial | Zendy

Sabina Gojak | Zendy; Iván Gutman | Zendy; Slavko Radenković | Zendy; Andrej Vodopivec | Zendy

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Relating resonance energy with the Zhang-Zhang polynomial

Author(s) -

Sabina Gojak,

Iván Gutman,

Slavko Radenković,

Andrej Vodopivec

Publication year - 2007

Publication title -

journal of the serbian chemical society

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.227

H-Index - 45

eISSN - 1820-7421

pISSN - 0352-5139

DOI - 10.2298/jsc0707665g

Subject(s) - zhàng , resonance (particle physics) , polynomial , energy (signal processing) , molecule , algorithm , topology (electrical circuits) , computational chemistry , physics , computer science , mathematics , chemistry , combinatorics , quantum mechanics , mathematical analysis , political science , law , china

The Zhang-Zhang polynomial ζ(x) is a recently conceived tool in the ma- thematical apparatus of theoretical chemistry. It combines (in a quantitative man- ner) the Kekulé- and Clar-structure-based features of benzenoid molecules. It is shown that the topological resonance energy (TRE) can be accurately approximated as b x a TRE + ≈ ) ( ζ , 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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