Abstract
Dendrimers are branched organic macromolecules with successive layers of branch units surrounding a central core. The molecular topology and the irregularity of their structure plays a central role in determining structural properties like enthalpy and entropy. Irregularity indices which are based on the imbalance of edges are determined for the molecular graphs associated with some general classes of dendrimers. We also provide graphical analysis of these indices for the above said classes of dendrimers.
Highlights
Topology, geometry and combinatorics are the main branches of mathematics which are employed to study the symmetries and irregularities of the structures of different substances
Dendrimers have consistently attracted the attention of both chemists as well as pure mathematicians because of the complexities of the underlying molecular graphs
Dendrimers are constituted by main parts: A central core, an internal part called âbranchâ, and an exterior surface with functional surface groups
Summary
Topology, geometry and combinatorics are the main branches of mathematics which are employed to study the symmetries and irregularities of the structures of different substances. Graphs can be used to study theoretical and computational aspects of dendrimers This approach has proved remarkable in relating properties of substances with involved structural parameters [4,5,6,7]. Et al computed M-polynomial and related indices of different classes of nanostar dendrimers in [16,17]. Important tools which are used for this purpose are structural and functional polynomials These use structural parameters as inputs and the outputs are the key information that is used to determine tools use structural parameters as inputs and the outputs are the key information that is used to properties of the material under discussion. Structure activity analysis in [11]
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