Predicting Some Physicochemical Properties of Octane Isomers: A Topological Approach Using ev-Degree and ve-Degree Zagreb Indices
International Journal of Systems Science and Applied Mathematics
Volume 2, Issue 5, September 2017, Pages: 87-92
Received: Aug. 22, 2017; Accepted: Sep. 6, 2017; Published: Oct. 17, 2017
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Author
Süleyman Ediz, Faculty of Education, Van Yüzüncü Yıl University, Van, Turkey
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Abstract
Topological indices have important role in theoretical chemistry for QSPR researches. Among the all topological indices the Randić and the Zagreb indices have been used more considerably than any other topological indices in chemical and mathematical literature. Most of the topological indices as in the Randić and the Zagreb indices are based on the degrees of the vertices of a connected graph. Recently novel two degree concepts have been defined in graph theory; ev-degrees and ve-degrees. In this study ev-degree Zagreb index, ve-degree Zagreb indices and ve-degree Randić index are defined by using these new graph invariants as parallel to their corresponding classical degree versions. These new group ev-degree and ve-degree indices are compared with the other well-known and most used topological indices in literature such as; Wiener, Zagreb and Randić indices by modelling some physicochemical properties of octane isomers. The ev-degree Zagreb index, the ve-degree Zagreb and the ve-degree Randić indices give better correlation than Wiener, Zagreb and Randić indices to predict the some specific physicochemical properties of octanes. The relations between the second Zagreb index and ev-degree and ve-degree Zagreb indices and some mathematical properties of ev-degree and ve-degree Zagreb indices are investigated.
Keywords
ev-Degree Zagreb Index, Octane Isomers, QSPR, QSAR, ve-Degree Randić Index, ve-Degree Zagreb Indices
To cite this article
Süleyman Ediz, Predicting Some Physicochemical Properties of Octane Isomers: A Topological Approach Using ev-Degree and ve-Degree Zagreb Indices, International Journal of Systems Science and Applied Mathematics. Vol. 2, No. 5, 2017, pp. 87-92. doi: 10.11648/j.ijssam.20170205.12
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Copyright © 2017 Authors retain the copyright of this article.
This article is an open access article distributed under the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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