Publication Date:
2018-07-06
Description:
Symmetry, Vol. 10, Pages 265: Topological Properties of Crystallographic Structure of Molecules Symmetry doi: 10.3390/sym10070265 Authors: Jia-Bao Liu Muhammad Siddiqui Manzoor Zahid Muhammad Naeem Abdul Baig 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 TiF2and 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.
Electronic ISSN:
2073-8994
Topics:
Mathematics
,
Physics
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