In the fields of chemical graph theory (CGT), mathematical chemistry and molecular
topology, a~ topological index (TI) also known as a connectivity~ index~ is a type of a …

Molecular topological indices are numerical descriptor of molecular structure obtained via
molecular graph G. The forgotten topological index F (G) is a vertex degree based …

Topological indices are a vital class of structural descriptors that are extensively adopted in
the innovation of structure-property models, virtual synthesis, drug design, and the …

Abstract Armchair‒like (5, 5) and zigzag‒like (10, 0) hydrogen boride nanotubes, denoted
by (5, 5) H‒BNTs and (10, 0) H‒BNTs, were studied using the DFTB method. The most …

Let WE={w1, w2,..., wk} be an ordered set of vertices of graph G and let e be an edge of G.
Suppose d (x, e) denotes distance between edge e and vertex x of G, defined as d (e, x)= d …

This work describes the implementation of a genetic algorithm-based strategy combined
with first-principles computations for identifying the structure of the most stable boron 1D …

Carbon nanowires based on various structures have various applications. In this article, our
focus is on diamond nano‐wires, based on the structure of the diamond. Our goal is to …

Topological coindices are generally utilized for quantitative structure-action relationship
(QSAR) and quantitative structure property relationship (QSPR). Topological coindices are …

Topological indices are numerical values associated with chemical constitution describing
the structures of chemical compounds and helping to predict different physicochemical …

Abstract Topological indices (TI)(descriptors) of a molecular graph are very much useful to
study various physiochemical properties. It is also used to develop the quantitative structure …