On the Minimum ABC Index of Chemical Trees

Abstract

The Atom Bond Connectivity index, also known as ABC index was defined by Estrada[4] with relation to the energy of formation of alkanes. It was quickly recognized that this index reflects important structural properties of graphs in general. The ABC index was extensively studied in the last three years, from the point of view of chemical graph theory[5,6], and in general graphs[1]. It was also compared to other structural indices of graphs[2]. Das derives multiple results with implications to the minimum/maximum ABC index on graphs. With relation to trees, it is known that among all the trees of the same number of vertices, the maximum ABC index is attained for the star graph. However, it is not known which tree(s) minimize(s) the ABC index. The problem seems to be hard. It is partially addressed in many sources[5,1,6], but remains open. In this paper we further investigate the trees that minimize the ABC index. Our investigations are limited to chemical trees, i.e. trees in which the maximum vertex degree is 4. The chemical trees were introduced to reflect the structure of the carbon chains and the molecules based on them. Our approach is algorithmic. We identify certain types of edges (chemical bonds) that are important and occur frequently in chemical trees. Further, we study how the removal of a certain edge, the introduction of certain edge or the contraction of certain edge affects the ABC-index of the tree. We pay particular attention to the examples of minimal ABC index chemical trees provided by Dimitrov[3].

On structural properties of trees with minimal atom-bond connectivity index

“…is an upper bound on (33). The expression −f (d(z), d(w)), and therefore also f 2 (d(z), d(w), n 2 ), increases in d(z), and it is maximal d(z) → ∞.…”

Degree-Based Topological Indices

“…116 A number of other properties of the atom-bond connectivity index (mainly bounds and characterization of the extremal members of various classes of graphs) have been recently established. [119][120][121][122][123][124][125][126][127][128][129][130][131][132][133] …”

On the difference between atom‐bond connectivity index and Randić index of binary and chemical trees

“…The problem of finding extremal chemical trees with respect to the ABC index has not yet been solved completely, see for example, Refs. . The topic of determining extremal binary trees with respect to the ABC index and R index has not yet been discussed in the literature.…”