The high-energy band in the photoelectron spectrum of alkanes and its dependence on molecular structure

Journal of the Serbian Chemical Society

Volumn 64, Issue 11, 1999, Pages 673-680

  Gutman, Ivan ^a   Gineityte, Viktorija ^b   Lepovic, Mirko ^a   Petrovic, Miroslav ^a  

^a University of Kraguijevac   (Serbia)

^b VILNIUS UNIVERSITY   (Lithuania)

Author keywords

Ionization energy; Laplacian eigenvalues; Molecular graph; Photoelectron spectrum (of alkanes)

Indexed keywords

EID: 0033268657     PISSN: 03525139     EISSN: None     Source Type: Journal    
DOI: 10.2298/jsc9911673g     Document Type: Article

References (24)

1. D. Cvetković, M. Doob, H. Sachs, Spectra of Graphs - Theory and Application, Academic Press, New York 1980
2. I. Gutman, O. E. Polansky, Mathematical Concepts in Organic Chemistry, Springer-Verlag, Berlin 1986
3. A. Graovac, I. Gutman, N. Trinajstić, T. Živković, Theor. Chim. Acta 26 (1972) 67
4. A. Graovac, I. Gutman, N. Trinajstić, Topological Approach to the Chemistry of Conjugated Molecules, Springer-Verlag, Berlin 1977
5. J. R. Dias, Molecular Orbital Calculations Using Chemical Graph Theory, Springer-Verlag, Berlin 1993
6. G. Bieri, J. D. Dill, E. Heilbronner, A. Schmelzer, Helv. Chim. Acta 60 (1977) 2234
7. E. Heilbronner, Helv. Chim. Acta 60 (1977) 2248
8. G. Bieri, F. Burger, E. Heilbronner, P. Maier, Helv. Chim. Acta 60 (1977) 2213
9. I. Gutman, D. Babić, V. Gineityte, ACH Models in Chem. 135 (1998) 901
10. S. H. Bertz, J. Chem. Soc. Chem. Commun. (1981) 818
11. I. Gutman, L. Popović, B. K. Mishra, M. Kuanar, E. Estrada, N. Gucvara, J. Serb. Chem. Soc. 62 (1997) 1025
12. I. Gutman, L. Popović, E. Estrada, S. H. Bertz, ACH Models in Chem. 135 (1998) 147
13. I. Gutman, D. Vidović, L. Popović, J. Chem. Soc. Faraday Trans. 94 (1998) 857
14. I. Gutman, D. Vidović, J. Serb. Chem. Soc., 63 (1998) 695
15. V. Gineityte, Lithuan. J. Phys. 31 (1991) 246
16. V. Gineityte, Lithuan. J. Phys. 31 (1991) 303
17. V. Gineityte, Lithuan. J. Phys. 32 (1992) 175
18. V. Gineityte, Int. J. Quantum Chem. 53 (1995) 245
19. V. Gineityte, Int. J. Quantum Chem. 60 (1996) 743
20. V. Gineityte, Croat. Chem. Acta 71 (1998) 673
21. 2n+2 has 6n+2 non-zero entries, whereas the number of non-zero entries in the adjacency matrix of the respective line graph is 12n, hence almost twice as large. Therefore, computer-aided manipulations of a molecular graph are easier than the analogous manipulations of a line graph.
22. 1)
23. I. Sciriha, Graph Theory Notes New York 35 (1998) 16
24. M. Lepović, Bull. Acad. Serbe Sci. Arts (Cl. Math. Natur), in press.