2020Polycyclic aromatic compoundsRequires access

Computation of the Forgotten Topological Index and Co-Index for Carbon Base Nanomaterial

Özge Çolakoğlu Havare, Ali Havare

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Abstract

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 index and it can be expressed with F(G)=∑d(v)3=∑d(u)2+d(v)2, where d(u) denotes the degree of u. The forgotten co-index Co-F(G) is defined as the sum of squares of a graph’s vertex degrees which is not adjacent. In this study, the F(G) and Co-F(G) index of HAC5C7, HAC5C6C7, linear [n]-phenylenes and cyclic phenylenes nanostructures are computed for possible works in the properties of molecules such as structure–property relationship. In addition, polynomials of the forgotten index and co-index are found for these nanostructures.

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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 index and it can be expressed with F(G)=∑d(v)3=∑d(u)2+d(v)2, where d(u) denotes the degree of u. The forgotten co-index Co-F(G) is defined as the sum of squares of a graph’s vertex degrees which is not adjacent. In this study, the F(G) and Co-F(G) index of HAC5C7, HAC5C6C7, linear [n]-phenylenes and cyclic phenylenes nanostructures are computed for possible works in the properties of molecules such as structure–property relationship. In addition, polynomials of the forgotten index and co-index are found for these nanostructures.

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Available abstract

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 index and it can be expressed with F(G)=∑d(v)3=∑d(u)2+d(v)2, where d(u) denotes the degree of u. The forgotten co-index Co-F(G) is defined as the sum of squares of a graph’s vertex degrees which is not adjacent. In this study, the F(G) and Co-F(G) index of HAC5C7, HAC5C6C7, linear [n]-phenylenes and cyclic phenylenes nanostructures are computed for possible works in the properties of molecules such as structure–property relationship. In addition, polynomials of the forgotten index and co-index are found for these nanostructures.

Key concepts: Molecular graph, Topological index, Vertex (graph theory), Index (typography), Chemistry, Graph, Topology (electrical circuits), Combinatorics

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