Various topological factors governing the electronic properties of infinitely large periodic polycyclic benzenoids are analyzed graph-theoretically by drawing the density of states (DS). The existence or non-existence of NBMO's in the hypothetical cyclic dimer of the network are shown to be crucial for the profile of DS. CATAHEXES AND PERIHEXES Owing to the rapid progress in organic synthesis t...

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...

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...

Benzene is a human carcinogen that might act through both genotoxic and nongenotoxic mechanisms to promote tumorigenesis. The genotoxic effects of benzene are well established, however, its potential nongenotoxic roles in carcinogenesis are poorly understood. We find that benzene suppresses somatic apoptosis in C. elegans; this suggests a potential nongenotoxic mechanism by which this chemical ...

Graph signal processing deals with signals whose domain, defined by a graph, is irregular. The total π-electron energy or simply the π-electronic energy, as calculated within Hückel tight-binding molecular orbital approximation, one of important quantum-theoretical characteristic conjugated molecules. In this paper, we propose an efficient computer-assisted computational method to determine eig...