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https://www.um.edu.mt/library/oar/handle/123456789/28164| Title: | Constructing NSSD molecular graphs |
| Authors: | Gutman, Ivan Furtula, Boris Farrugia, Alexander Sciriha, Irene |
| Keywords: | Mathematics -- Charts, diagrams, etc. Molecular electronics Mathematics -- Problems, exercises, etc. |
| Issue Date: | 2016 |
| Publisher: | Hrvatsko Kemijsko Drustvo, Croatian Chemical Society |
| Citation: | Gutman, I., Furtula, B., Farrugia, A., & Sciriha, I. (2016). Constructing NSSD molecular graphs. Croatica Chemica Acta, 89(4), 449-454. |
| Abstract: | A graph is said to be non-singular if it has no eigenvalue equal to zero; otherwise it is singular. Molecular graphs that are non-singular and also have the property that all subgraphs of them obtained by deleting a single vertex are themselves singular, known as NSSD graphs, are of importance in the theory of molecular π-electron conductors; NSSD = non-singular graph with a singular deck. Whereas all non-singular bipartite graphs (therefore, the molecular graphs of all closed-shell alternant conjugated hydrocarbons) are NSSD, the non-bipartite case is much more complicated. Only a limited number of non-bipartite molecular graphs have the NSSD property. Several methods for constructing such molecular graphs are presented. |
| URI: | https://www.um.edu.mt/library/oar//handle/123456789/28164 |
| Appears in Collections: | Scholarly Works - FacSciMat Scholarly Works - JCMath |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| Constructing_NSSD_Molecular_Graphs_2016.pdf | 1.12 MB | Adobe PDF | View/Open |
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