Open AccessComputation of certain topological coindices of graphene sheet and C 4 C 8(S) nanotubes and nanotorus
Author(s) -
Melaku Berhe,
Chunxiang Wang
Publication year - 2019
Publication title -
applied mathematics and nonlinear sciences
Language(s) - English
Resource type - Journals
ISSN - 2444-8656
DOI - 10.2478/amns.2019.2.00043
Subject(s) - quantitative structure–activity relationship , multiplicative function , graphene , computation , topological index , topology (electrical circuits) , matlab , mathematics , computational chemistry , combinatorics , physics , chemistry , computer science , stereochemistry , algorithm , quantum mechanics , mathematical analysis , operating system
Topological indices are widely used for quantitative structure-activity relationship (QSAR) and quantitative structure-property relationship (QSPR). Topological coindices are topological indices that considers the non adjacent pairs of vertices. Here, we consider the following five well-known topological coindices: the first and second Zagreb coindices, the first and second multiplicative Zagreb coindices and the F -coindex. By using graph structural analysis and derivation, we study the above-mentioned topological coindices of some chemical molecular graphs that frequently appear in medical, chemical, and material engineering such as graphene sheet and C 4 C 8 ( S ) nanotubes and nanotorus and obtain the computation formulae of the coindices of these graphs. Furthermore, we analyze the results by MATLAB and obtain the relationship of the coindices which they describe the physcio-chemical properties and biological activities.