65 research outputs found

    Giant benzenoid hydrocarbons Superphenalene resonance energy

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    We calculated molecular resonance energy for "superphenalene", a recently reported giant benzenoid which can be viewed as obtained from three fused "superbenzenes" Chexa-peri-hexabenzocoronenes). Using the Method of Conjugated Circuits we derived quantitative characterization of Clar's qualitative description of the considered benzenoids as composed from disjoint "pi -sextets". The calculations show the degree of differentiation between neighboring rings which decreases as we move more towards the central part of the molecule

    Computing Fifth Geometric-Arithmetic Index for Circumcoronene series of benzenoid Hk

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    Let G=(V; E) be a simple connected graph. The sets of vertices and edges of G are denoted by V=V(G) and E=E (G), respectively. The geometric-arithmetic index is a topological index was introduced by Vukicevic and Furtula in 2009 and defined as  in which degree of vertex u denoted by dG(u) (or du for short). In 2011, A. Graovac et al defined a new version of GA index as  where  The goal of this paper is to compute the fifth geometric-arithmetic index for "Circumcoronene series of benzenoid Hk (k≥1)"
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