<abstract xmlns="http://www.w3.org/1999/xhtml">

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 <italic>F</italic>-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 <italic>C</italic>4<italic>C</italic>8(<italic>S</italic>) 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.
</abstract>

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 C4C8(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.

Computation of certain topological coindices of graphene sheet and <italic>C</italic>4<italic>C</italic>8(<italic>S</italic>) nanotubes and nanotorus

School of Mathematics and Statistics and Hubei key

Laboratory Mathematics Sciences Central China Normal University

Addis Ababa Science and Technology University

Applied Mathematics and Nonlinear Sciences

This work is licensed under the Creative Commons Attribution 4.0 Public License.

Computation of certain topological coindices of graphene sheet and () nanotubes and nanotorus

Topological indices are widely used for quantitative structure-activity relationship (QSAR) and quantitative structure-property relationship (QSPR)....

Computation of certain topological coindices of graphene sheet and C₄C₈(S) nanotubes and nanotorus

Pubblicato online: 18 dic 2019

Pagine: 455 - 468

Ricevuto: 05 mar 2019

Accettato: 09 mag 2019

DOI: https://doi.org/10.2478/AMNS.2019.2.00043

Parole chiave
Molecular graph, topological coindex, graphene sheet, nanotubes, nanotorus

© 2019 R. A. Mundewadi and Kumbinarasaiah S, published by Sciendo

This work is licensed under the Creative Commons Attribution 4.0 Public License.

Computation of certain topological coindices of graphene sheet and C4C8(S) nanotubes and nanotorus

Pubblicato online: 18 dic 2019

Pagine: 455 - 468

Ricevuto: 05 mar 2019

Accettato: 09 mag 2019

DOI: https://doi.org/10.2478/AMNS.2019.2.00043

Parole chiaveMolecular graph, topological coindex, graphene sheet, nanotubes, nanotorus

© 2019 R. A. Mundewadi and Kumbinarasaiah S, published by Sciendo

This work is licensed under the Creative Commons Attribution 4.0 Public License.

Computation of certain topological coindices of graphene sheet and C₄C₈(S) nanotubes and nanotorus

Parole chiave
Molecular graph, topological coindex, graphene sheet, nanotubes, nanotorus