Anacondensed hexagonal systems

Roberto Cruz

doi:10.1016/j.amc.2021.126798

Anacondensed hexagonal systems

2022-04-01

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DOI：10.1016/j.amc.2021.126798

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Let HSh be the set of hexagonal systems with h hexagons and let n(i)(H ) denote the number of internal vertices of H is an element of & nbsp;HSh. It is well known that for every H is an element of & nbsp;HSh:0 <=& nbsp;n(i)(H) <=& nbsp;2 h + 1 - inverted right perpendicular root 2 h - 3inverted left & nbsp;perpendicular.The hexagonal systems which attain the lower bound of (1) are called catacondensed hexagonal systems, a class which has been extensively studied. On the other extreme we have the hexagonal systems which attain the upper bound of (1), which in contrast to the catacondensed hexagonal systems, we call anacondensed hexagonal systems, and denote them by A(h). We shall see in this paper that the number of anacondensed hexagonal systems in HSh have a super-polynomial growth for infinite values of h : for any t > 0 , there exist h large enough such that there are more than h(t) anacondensed hexagonal systems in HSh. Consequently, A(h)& nbsp;is a large class in HSh.One useful parameter associated to a hexagonal system is the so-called number of bay regions of H is an element of HSh, denoted by b(H). We will show how to construct anacondensed hexagonal systems with a given number of bay regions. Moreover, among all hexagonal systems in A(h), we find those which have extremal value of number of bay regions. This result has strong implications in the study of the extremal values of vertex-degree-based topological indices (molecular descriptors) over A(h).(c) 2021 Elsevier Inc. All rights reserved.

Keywords:

Anacondensed hexagonal systems

Vertex-degree-based topological indices

Number of bay regions

Anacondensed hexagonal systems

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