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Original scientific paper
https://doi.org/10.5562/cca2997

Constructing NSSD Molecular Graphs

Ivan Gutman   ORCID icon orcid.org/0000-0001-9681-1550 ; Faculty of Science, University of Kragujevac, P. O. Box 60, 34000 Kragujevac Serbia
Boris Furtula   ORCID icon orcid.org/0000-0002-5056-6892 ; Faculty of Science, University of Kragujevac, P. O. Box 60, 34000 Kragujevac Serbia
Alexander Farrugia ; Department of Mathematics, University of Malta, Malta
Irene Sciriha ; Department of Mathematics, University of Malta, Malta

Fulltext: english, pdf (1 MB) pages 449-454 downloads: 765* cite
APA 6th Edition
Gutman, I., Furtula, B., Farrugia, A. & Sciriha, I. (2016). Constructing NSSD Molecular Graphs. Croatica Chemica Acta, 89 (4), 449-454. https://doi.org/10.5562/cca2997
MLA 8th Edition
Gutman, Ivan, et al. "Constructing NSSD Molecular Graphs." Croatica Chemica Acta, vol. 89, no. 4, 2016, pp. 449-454. https://doi.org/10.5562/cca2997. Accessed 30 Nov. 2021.
Chicago 17th Edition
Gutman, Ivan, Boris Furtula, Alexander Farrugia and Irene Sciriha. "Constructing NSSD Molecular Graphs." Croatica Chemica Acta 89, no. 4 (2016): 449-454. https://doi.org/10.5562/cca2997
Harvard
Gutman, I., et al. (2016). 'Constructing NSSD Molecular Graphs', Croatica Chemica Acta, 89(4), pp. 449-454. https://doi.org/10.5562/cca2997
Vancouver
Gutman I, Furtula B, Farrugia A, Sciriha I. Constructing NSSD Molecular Graphs. Croatica Chemica Acta [Internet]. 2016 [cited 2021 November 30];89(4):449-454. https://doi.org/10.5562/cca2997
IEEE
I. Gutman, B. Furtula, A. Farrugia and I. Sciriha, "Constructing NSSD Molecular Graphs", Croatica Chemica Acta, vol.89, no. 4, pp. 449-454, 2016. [Online]. https://doi.org/10.5562/cca2997

Abstracts
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.

Creative Commons License This work is licensed under a Creative Commons Attribution 4.0 International License.

Keywords
Non-singular graph with singular deck; NSSD; molecular graph; single-molecule electron conduction; molecular electronics

Hrčak ID: 171993

URI
https://hrcak.srce.hr/171993

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