Abstract
AbstractThe relations and correlation between the physicochemical characteristics of a chemical compounds and the molecular structure connectivity of the same compound are used in quantitative structure activity and property relationship studies (QSAR/QSPR) by using the appropriate graph‐theoretical techniques. Szeged index has been extensively studied for modeling physicochemical properties of organic compounds acting as drugs or possess pharmacological activity. In this paper, we consider the two‐dimensional lattices of titanium oxide nanotubes TiO2. We compute several Szeged‐type indices such as vertex Szeged, edge Szeged, edge‐vertex Szeged, total Szeged, Padmaker–Ivan, revised Szeged and revised‐edge Szeged indices of these graphs. We define new types of cuts that are different from orthogonal cuts and can be used to obtain Szeged‐type results of titania nanotubes.
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