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M-多项式与 V-苯并纳米管和纳米环的拓扑指标。

M-Polynomials and topological indices of V-Phenylenic Nanotubes and Nanotori.

机构信息

Department of Mathematics, Dong-A University, Busan, 49315, Korea.

Division of Science and Technology, University of Education, Lahore, 54000, Pakistan.

出版信息

Sci Rep. 2017 Aug 18;7(1):8756. doi: 10.1038/s41598-017-08309-y.

Abstract

V-Phenylenic nanotubes and nanotori are most comprehensively studied nanostructures due to widespread applications in the production of catalytic, gas-sensing and corrosion-resistant materials. Representing chemical compounds with M-polynomial is a recent idea and it produces nice formulas of degree-based topological indices which correlate chemical properties of the material under investigation. These indices are used in the development of quantitative structure-activity relationships (QSARs) in which the biological activity and other properties of molecules like boiling point, stability, strain energy etc. are correlated with their structures. In this paper, we determine general closed formulae for M-polynomials of V-Phylenic nanotubes and nanotori. We recover important topological degree-based indices. We also give different graphs of topological indices and their relations with the parameters of structures.

摘要

由于在催化、气体传感和耐腐蚀材料的生产中的广泛应用,V-苯并纳米管和纳米环是研究最全面的纳米结构。用 M-多项式来表示化学化合物是一个新的想法,它产生了基于度的拓扑指数的漂亮公式,这些指数与所研究材料的化学性质相关。这些指数被用于定量构效关系(QSAR)的开发中,其中分子的生物活性和其他性质,如沸点、稳定性、应变能等,与它们的结构相关联。在本文中,我们确定了 V-苯并纳米管和纳米环的 M-多项式的一般封闭公式。我们恢复了重要的基于拓扑度的指数。我们还给出了拓扑指数的不同图形及其与结构参数的关系。

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