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Mathematics
Article . 2023 . Peer-reviewed
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Mathematics
Article . 2023
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Smoothness of Graph Energy in Chemical Graphs

Authors: Katja Zemljič; Petra Žigert Pleteršek;

Smoothness of Graph Energy in Chemical Graphs

Abstract

The energy of a graph G as a chemical concept leading to HMO theory was introduced by Hückel in 1931 and developed into a mathematical interpretation many years later when Gutman in 1978 gave his famous definition of the graph energy as the sum of the absolute values of the eigenvalues of the adjacency matrix of G. One of the general requirements for any topological index is that similar molecules have close TI values, which is called smoothness. To explore this property, we consider two variants of structure sensitivity and abruptness as introduced by Furtula et al. in 2013 and 2019, for hydrocarbons with up to 20 carbon atoms. Finally, we investigate the relationships between graph energies of acyclic hydrocarbons compared to their cyclic versions.

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Slovenia
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Keywords

smothness, graph energy, chemical graphs, QA1-939, matematični grafi, kemijski grafi, smoothness, Mathematics, info:eu-repo/classification/udc/519.17

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
6
Top 10%
Average
Top 10%
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