Abstract
Titania nanotubes are among the most investigated nanomaterials relating to their common applications in the manufacturing of corrosion-resistant, gas sensing and catalytic molecules. Topological indices which are graph invariants derived from molecular graphs of molecules are used in QSPR researches for modelling physicochemical properties of molecules. Topological indices are important tools for determining the underlying topology of a molecule in view of theoretical chemistry. Most of the topological indices are defined by using classical degree concept of graph theory. Recently two novel degree concepts have been defined in graph theory: ve-degrees and ev-degrees. By using both novel graph invariants, as parallel to their classical degree versions, the ev-degree Zagreb index, the ve-degree Zagreb indices and the ve-degree Randic index have been defined very recently. In this study the ev-degree Zagreb index, the ve-degree Zagreb indices and the ve-degree Randic index of titania nanotubes were computed.
Highlights
Graph theory which is one of the most important branch of applied mathematics and chemistry has many applications from the basic sciences to the engineering sciences especially for solving and modelling 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
Summary
Graph theory which is one of the most important branch of applied mathematics and chemistry has many applications from the basic sciences to the engineering sciences especially for solving and modelling of real-world problems. The Wiener index of a simple connected graph G defined as follows; The first Zagreb index of a simple connected graph defined as; The second Zagreb index of a simple connected graph defined as;
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