Benzenoids are a subfamily of hydrocarbons (molecules that only made hydrogen and carbon atoms) whose atoms form hexagons. These molecules widely studied in theoretical chemistry have lot concrete applications. Then, there is problems relative to this subject, like the enumeration all its Kekulé structures (i.e. valid configurations double bonds). In article, we focus our attention on two issue...

The Wiener index W is the sum of distances between all pairs of vertices of a (connected) graph. Hexagonal systems (HS’s) are a special type of plane graphs in which all faces are bounded by hexagons. These provide a graph representation of benzenoid hydrocarbons and thus find applications in chemistry. The paper outlines the results known for W of the HS: method for computation of W , expressi...

Polycyclic aromatic hydrocarbons that we previously called total resonant sextet (TRS) benzenoids are revisited within the framework of recent experimental findings. A benzenoid transformation called leapfrogging generates TRS benzenoids. There are 13, 30, and 114 TRS benzenoid isomers with formulas C72H26, C96H30, and C102H32, respectively. “The leapfrogs of benzenoids are 2-factorable” is a s...

The Weiner index is considered one of the basic descriptors fixed interconnection networks because it provides average distance between any two nodes network. Many methods have been used by researchers to calculate value Wiener index. starting from brute force method invention an algorithm without calculating matrix. application found in molecular structure organic compounds, especially benzeno...

Mei (Prunus mume) is a peculiar woody ornamental plant famous for its inviting fragrance in winter. However, in this valuable plant, the mechanism behind floral volatile development remains poorly defined. Therefore, to explore the floral scent formation, a comparative transcriptome was conducted in order to identify the global transcripts specifying flower buds and blooming flowers of P. mume....

Abstract. Applications of isometric embeddings of benzenoid graphs are surveyed. Their embeddings into hypercubes provide methods for computing the Wiener index and the Szeged index, while embeddings into the Cartesian product of trees lead to fast algorithms. A new method for computing the hyperWiener index of partial cubes in general, and of benzenoid graphs and trees in particular, is also p...

für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...

While critically reviewing the current status of what is known about C28H14 and C30H14 benzenoid isomers, which are ubiquitous pyrolytic constituents, some new insights will be presented. Representative isomers belonging to these benzenoid hydrocarbons are at the crossroads to homologous series that extend to infinite polymer strips that have been the object of numerous molecular modeling studi...

In its crystal structure, the title compound, C(9)H(7)NO(3), forms π-stacked dimers, with a centroid-centroid distance of 3.475 (5) Å between the benzenoid and the 2,4 dicarbonyl oxazine rings. These dimers then form staircase-like linear chains through further π-stacking between the benzenoid rings [centroid-centroid distance of 3.761 (2) Å]. The methyl-H atoms are disordered due to rotation a...