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Nanoscience & Nanotechnology-Asia

Author(s): S. Prabhu*, G. Murugan and M. Arulperumjothi

DOI: 10.2174/2210681210999200423120222

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On the Edge-version of Topological Indices of Titanium Dioxide Nanotube and Nanosheet

Page: [174 - 188] Pages: 15

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Abstract

Background: In computational and theoretical chemistry, real numbers programming certain structural skin appearance of natural molecules and derivative from parallel molecular graphs are called the graph invariants or more frequently structural descriptors (topological indices).

Methods: Structural descriptors are numeric quantities, which are resulting from a molecular structure by mathematical calculations.

Results: In Quantitative Structure-Activity Relation (QSAR) and Quantitative Structure-Property Relation (QSPR) study, these parameters are utilized to compute the biological properties of chemical composites.

Conclusion: In this computational research paper, we find a degree based on the edge version of topological indices of Titanium dioxide nanotube and nanosheet.

Keywords: Line graph, topological indices, molecular graph, titania nanotube, titania nanosheet, zagreb index, structureproperty, structure-activity.

Graphical Abstract

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