The 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.
- Szeged-type indices
- titania nanotubes
- topological indices
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Physical and Theoretical Chemistry