The energy of a tripartite graph

The energy of a graph is used to approximate the total π-electron energy of molecules. Thus, finding a new technique that facilitates this task is a challenge that has received increased research attention. This paper introduces the eigenvalues of a complete tripartite graph Ti,i,n-2i, for n ≥ 4, wi...

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Bibliographic Details
Main Authors: Alawn, Nawras A., Al-Saidi, Nadia M. G., Rasheed, Rashed T.
Format: Conference Proceeding
Language:English
Subjects:
Eigenvalues
Electron energy
Organic chemistry
Pi-electrons
Online Access:Get full text
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Summary:The energy of a graph is used to approximate the total π-electron energy of molecules. Thus, finding a new technique that facilitates this task is a challenge that has received increased research attention. This paper introduces the eigenvalues of a complete tripartite graph Ti,i,n-2i, for n ≥ 4, with respect to the adjacency, Laplacian, and signless Laplacian matrices. The chemical HMO approach is particularly successful in the case of the total π-electron energy. Experiments reveal that some chemical components are equienergetic with the tripartite graph. This finding helps easily derive the HMO of most of these components despite their different structures.
ISSN:0094-243X
1551-7616
DOI:10.1063/1.5095091