A combined technique for computation of energy-effect of cycles in conjugated molecules

dc.contributor.author	Fatoorehchi H.
dc.contributor.author	Gutman, Ivan
dc.contributor.author	Abolghasemi H.
dc.date.accessioned	2021-04-20T19:51:48Z
dc.date.available	2021-04-20T19:51:48Z
dc.date.issued	2015
dc.description.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.
dc.identifier.doi	10.1007/s10910-015-0473-y
dc.identifier.issn	0259-9791
dc.identifier.scopus	2-s2.0-84925515910
dc.identifier.uri	https://scidar.kg.ac.rs/handle/123456789/12040
dc.rights	restrictedAccess
dc.source	Journal of Mathematical Chemistry
dc.title	A combined technique for computation of energy-effect of cycles in conjugated molecules
dc.type	article

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