On the Second Harmonic Index of Titania Nanotubes
Journal Title: Drug Designing & Intellectual Properties International Journal - Year 2018, Vol 1, Issue 1
Abstract
Topological indices which are graph invariants derived from molecular graphs of molecules are used in QSPR researches for modeling physicochemical properties of molecules. Topological indices are important tools for determining the underlying topology of a molecule in view of theoretical chemistry. The second harmonic index has been defined recently. In this study we compute the second harmonic index of Titania nanotubes.Graph theory which is one of the most important branches of applied mathematics and chemistry has many applications from the basic sciences to the engineering sciences especially for solving and modeling of real world problems. Chemical graph theory is the common place for graph theory and chemistry. Topological indices are indispensable tools for QSPR researches in view of theoretical chemistry and chemical graph theory. Topological indices have been used more than seventy years predicting and modeling physicochemical properties of chemical substances. A graph G = (V,E) consists of two nonempty sets v and 2-element subsets of v namely E. The elements of v are called vertices and the elements of E are called edges. For a vertex v def0V) show the number of edges that incident to v. The set of all vertices which adjacent to is called the open neighborhood of and denoted by n (v). If we add the vertex v to n(v), then we get the closed neighborhood of v,n(v) . For the vertices u and v, d(u, v) denotes the distance between u and v which means that minimum number of edges between u and v. The largest distance from the vertex v to any other vertex u called the eccentricity of v and denoted by ev.
Authors and Affiliations
Yingying Gao, Süleyman Ediz, Mohammad Reza Farahani, Muhammad Imran
Keywords
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- EP ID EP583310
- DOI 10.32474/DDIPIJ.2018.01.000102
- Views 157
- Downloads 0
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