S. Prabhu*, G. Murugan and M. Arulperumjothi Pages 174 - 188 ( 15 )
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.
Line graph, topological indices, molecular graph, titania nanotube, titania nanosheet, zagreb index, structureproperty, structure-activity.
Department of Mathematics, Faculty of Science and Humanities, Sri Venkateswara College of Engineering (Autonomous), Affiliated to Anna University, Sriperumbudur 602 105, Department of Mathematics, Chennai Institute of Technology, Chennai 600069, Department of Mathematics, Loyola College (Autonomous), Chennai 600 034