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Distance-based topological descriptors for measuring the π-electronic energy of benzenoid hydrocarbons with applications to carbon nanotubes
In this paper, we provide efficient regression models for correlating the π-electronic energies of carbon nanotubes and nanocones. …
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On topological properties of boron and boron-α nanotubes
A topological index is a numerical quantity correlating an important physicochemical property of a chemical compound. Study of such …
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Correlation between the Estrada index and π-electronic energies for benzenoid hydrocarbons with applications to boron nanotubes
In this article, we present an efficient computer-based computational technique to compute the energy and Estrada index of graphs. It …
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An efficient computational technique for degree and distance based topological descriptors with applications
Quantitative structure-activity and structure-property associations of natural systems require terminologies for their topological …
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Valency-based topological descriptors of chemical networks and their applications
A topological descriptor/index (or molecular structure descriptor) is a numerical value associated with chemical constitution for …
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Distance property of chemical graphs
We have developed a rigorous computational technique to compute exact analytic expressions for a number of distance-based topological …
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Further results on computation of topological indices of certain networks
There are various topological indices such as degree based topological indices, distance based topological indices and counting related …
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Computing distance-based topological descriptors of complex chemical networks: New theoretical techniques
Structure-based topological descriptors/indices of complex chemical networks enable prediction of physico-chemical properties and the …
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On degree-based and frustration related topological indices of single-walled titania nanotubes
In theoretical and computational chemistry, a molecular descriptor is a numerical representation of a chemical structure while a …
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On topological properties of 2-dimensional lattices of carbon nanotubes
Topological descriptors are the most important numerical quantities in the fields of mathematical chemistry and nanotechnology. These …
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