Please use this identifier to cite or link to this item: https://scidar.kg.ac.rs/handle/123456789/12354
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dc.contributor.authorFurtula, Boris-
dc.contributor.authorLekishvili G.-
dc.contributor.authorGutman I.-
dc.date.accessioned2021-04-20T20:38:10Z-
dc.date.available2021-04-20T20:38:10Z-
dc.date.issued2014-
dc.identifier.issn0352-5139-
dc.identifier.urihttps://scidar.kg.ac.rs/handle/123456789/12354-
dc.description.abstractA simple graph-theory-based model is presented, by means of which it is possible to express the energy difference between geometrically non-equivalent forms of a conjugated polyene. This is achieved by modifying the adjacency matrix of the molecular graph, and including into it information on cis/trans constellations. The total p-electron energy thus calculated is in excellent agreement with the enthalpies of the underlying isomers and conformers. © 2014 SCS.-
dc.rightsrestrictedAccess-
dc.sourceJournal of the Serbian Chemical Society-
dc.titleA graph theoretical approach to cis/trans isomerism-
dc.typearticle-
dc.identifier.doi10.2298/JSC140120010F-
dc.identifier.scopus2-s2.0-84938932001-
Appears in Collections:Faculty of Science, Kragujevac

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