%0 Journal Article
%T The high-energy band in the photoelectron spectrum of alkanes and its dependence on molecular structure
%A IVAN GUTMAN
%A VIKTORIJA GINEITYTE
%A MIRKO LEPOVIC
%A MIROSLAV PETROVIC
%J Journal of the Serbian Chemical Society
%D 1999
%I Serbian Chemical Society
%X In the model for the ionization energies of the C2s-electrons in saturated hydrocarbons, put forward by Heilbronner et al., the energy levels are calculated as eigenvalues of the line graph of the hydrogen-filled molecular graph. It is now shown that in the case of alkanes, these energy levels are related to the Laplacian eigenvalues of the molecular graph. A few rules are formulated, relating these ionization energies with molecular structure.
%K photoelectron spectrum (of alkanes)
%K ionization energy
%K molecular graph
%K Laplacian eigenvalues
%U http://www.shd.org.yu/HtDocs/SHD/Vol64/No11-Pdf/V64-no11-04.zip