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Combinatorial Chemistry & High Throughput Screening

Author(s): Muhammad Salman, Faisal Ali, Masood Ur Rehman* and Imran Khalid

DOI: 10.2174/1386207323666201020145239

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Some Valency Oriented Molecular Invariants of Certain Networks

Page: [462 - 475] Pages: 14

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Abstract

Background: The valency of an atom in a molecular structure is the number of its neighboring atoms. A large number of valency based molecular invariants have been conceived, which correlate certain physio-chemical properties like boiling point, stability, strain energy and many more chemical compounds.

Objective: Our aim is to study the valency based molecular invariants for four hexa chemical structures, namely hexagonal network, honeycomb network, oxide network and silicate sheet network.

Methods: We use the technique of atom-bonds partition according to the valences of atoms to find results.

Results and Conclusion: Exact values of valency-based molecular invariants, namely the Randi index, atom bond connectivity index, geometric arithmetic index, harmonic index, Zagreb indices, Zagreb polynomials, F-index and F-polynomial, are found for four hexa chemical structures.

Keywords: Valency, Randić index, harmonic index, ABC index, GA index, Zagreb index, forgotten index, network

Graphical Abstract

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