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Symmetry 2018, 10(7), 265; https://doi.org/10.3390/sym10070265

Topological Properties of Crystallographic Structure of Molecules

1
School of Mathematics and Physics, Anhui Jianzhu University, Hefei 230601, China
2
Department of Mathematics, COMSATS University Islamabad, Sahiwal Campus, Sahiwal 57000, Pakistan
3
Department of Mathematics, The University of Lahore, Pakpattan Campus, Pakpattan 57400, Pakistan
*
Author to whom correspondence should be addressed.
Received: 17 June 2018 / Revised: 1 July 2018 / Accepted: 3 July 2018 / Published: 5 July 2018
(This article belongs to the Special Issue Symmetry in Graph Theory)
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Abstract

Chemical graph theory plays an important role in modeling and designing any chemical structure. The molecular topological descriptors are the numerical invariants of a molecular graph and are very useful for predicting their bioactivity. In this paper, we study the chemical graph of the crystal structure of titanium difluoride TiF2 and the crystallographic structure of cuprite Cu2O. Furthermore, we compute degree-based topological indices, mainly ABC, GA, ABC4, GA5 and general Randić indices. Furthermore, we also give exact results of these indices for the crystal structure of titanium difluoride TiF2 and the crystallographic structure of cuprite Cu2O. View Full-Text
Keywords: topological indices; cuprite; atom bond connectivity index; Zagreb indices; geometric arithmetic index; general Randić index; titanium difluoride topological indices; cuprite; atom bond connectivity index; Zagreb indices; geometric arithmetic index; general Randić index; titanium difluoride
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).
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Liu, J.-B.; Siddiqui, M.K.; Zahid, M.A.; Naeem, M.; Baig, A.Q. Topological Properties of Crystallographic Structure of Molecules. Symmetry 2018, 10, 265.

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