Within the source-and-sink-potential model, a complete characterisation is obtained for the conduction behaviour of alternant π-conjugated hydrocarbons (conjugated hydrocarbons without odd cycles). In this model, an omni-conductor has a molecular graph that conducts at the Fermi level irrespective of the choice of connection vertices. Likewise, an omni-insulator is a molecular graph that fails ...

A new enynyl-benzenoid, antrocamphin O (1,4,7-dimethoxy-5-methyl-6-(3'-methylbut-3-en-1-ynyl)benzo[d][1,3]dioxide), and the known benzenoids antrocamphin A and 7-dimethoxy-5-methyl-1,3-benzodioxole, were isolated from the fruiting bodies of Antrodia camphorata (Taiwanofungus camphoratus). The structure of antrocamphin O was unambiguously assigned by the analysis of spectral data (including 1D a...

We explore the structure of the maximum vertex independence sets in fullerenes: plane trivalent graphs with pentagonal and hexagonal faces. At the same time, we will consider benzenoids: plane graphs with hexagonal faces and one large outer face. In the case of fullerenes, a maximum vertex independence set may constructed as follows: (i) Pair up the pentagonal faces. (ii) Delete the edges of a ...

In this paper, a fast and complete method to constructively enumerate fusenes and benzenoids is given. It is fast enough to construct several million non isomorphic structures per second. The central idea is to represent fusenes as labelled inner duals and generate them in a two step approach using the canonical construction path method and the homomorphism principle.

Michelia crassipes is a great ornamental plant, the flowers of which have high economic value. In this study, we employed headspace solid-phase microextraction (HS–SPME) combined with gas chromatography high-resolution mass spectrometry (GC–HRMS) for first time to identify volatile compounds emitted from different organs M. at flowering stages. flower odor comprises 69 that are dominated by ter...

Benzenoid hydrocarbons have regular structures, attracting the opportunity to test structural descriptors of their series. In present study, we compared information entropy, Wiener indices, topological efficiencies, roundness, and symmetries oligoacenes, phenacenes, helicenes. We found discussed mismatches between symmetry benzenoids. Among studied series, helicenes demonstrate parity effect wh...

A reference catalogue of 1274 fully-resonant azulenoid tiling patterns with a symmetry group that operates transitively on the azulenes has been generated, and may be consulted at http://caagt.ugent.be/azul. Such networks are analogous to Clar structures and fully-naphthalenoid structures among benzenoids.