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Title: A combined technique for computation of energy-effect of cycles in conjugated molecules
Authors: Fatoorehchi H.
Gutman I.
Abolghasemi H.
Journal: Journal of Mathematical Chemistry
Issue Date: 1-Apr-2015
Abstract: © 2015, Springer International Publishing Switzerland. A direct method for computation of the energy-effect (ef) of cycles in conjugated molecules is elaborated, based on numerical calculation of the (complex) zeros of certain graph polynomials. Accordingly, the usage of the Coulson integral formula can be avoided, and thus the ef-values can be calculated for arbitrary cycles of arbitrary conjugated systems.
Type: journal article
DOI: 10.1007/s10910-015-0473-y
ISSN: 02599791
SCOPUS: 84925515910
Appears in Collections:University Library, Kragujevac

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