Molecular topological invariants of certain chemical networks

Topological descriptors are the graph invariants that are used to explore the molecular topology of the molecular/chemical graphs. In QSAR/QSPR research, physico-chemical characteristics and topological invariants including Randić, atom-bond connectivity, and geometric arithmetic invariants are util...

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Bibliographic Details
Published inMain group metal chemistry Vol. 44; no. 1; pp. 141 - 149
Main Authors Ul Haq Bokhary, Syed Ahtsham, Imran, Muhammad, Akhter, Shehnaz, Manzoor, Sadia
Format Journal Article
LanguageEnglish
Published Berlin De Gruyter 01.01.2021
Walter de Gruyter GmbH
Subjects
atom-bond connectivit index
Chemical compounds
Diamonds
generalized Aztec diamond
geometric-arithmetic index
Graph theory
Invariants
Networks
tetrahedral diamond lattice
Topology
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Summary:Topological descriptors are the graph invariants that are used to explore the molecular topology of the molecular/chemical graphs. In QSAR/QSPR research, physico-chemical characteristics and topological invariants including Randić, atom-bond connectivity, and geometric arithmetic invariants are utilized to corelate and estimate the structure relationship and bioactivity of certain chemical compounds. Graph theory and discrete mathematics have discovered an impressive utilization in the area of research. In this article, we investigate the valency-depended invariants for certain chemical networks like generalized Aztec diamonds and tetrahedral diamond lattice. Moreover, the exact values of invariants for these categories of chemical networks are derived.
ISSN:0792-1241
2191-0219
DOI:10.1515/mgmc-2021-0010