Please use this identifier to cite or link to this item: https://scidar.kg.ac.rs/handle/123456789/12237
Full metadata record
DC FieldValueLanguage
dc.contributor.authorRadenkovic, Slavko-
dc.contributor.authorGutman, Ivan-
dc.contributor.authorAntić, Marija-
dc.date.accessioned2021-04-20T20:20:59Z-
dc.date.available2021-04-20T20:20:59Z-
dc.date.issued2014-
dc.identifier.issn0009-2614-
dc.identifier.urihttps://scidar.kg.ac.rs/handle/123456789/12237-
dc.description.abstractAccording to the Pauling bond orders, the lengths of the rung carbon-carbon bonds along the central hexagonal chain in chevron-type benzenoid molecules are monotonically changed. The calculated bond lengths obtained at the B3LYP/6-311G(d,p) level of theory show that this regularity holds only for the first few members of the chevron homologous series. In the case of higher members of the series, the predictions of the Pauling bond orders are false. This indicates that the Pauling bond orders are not generally applicable for the prediction of bond lengths.-
dc.rightsrestrictedAccess-
dc.sourceChemical Physics Letters-
dc.titleA case of breakdown of the Pauling bond order concept-
dc.typearticle-
dc.identifier.doi10.1016/j.cplett.2014.09.008-
dc.identifier.scopus2-s2.0-84907606784-
Appears in Collections:Faculty of Science, Kragujevac

Page views(s)

138

Downloads(s)

4

Files in This Item:
File Description SizeFormat 
PaperMissing.pdf
  Restricted Access
29.86 kBAdobe PDFThumbnail
View/Open


Items in SCIDAR are protected by copyright, with all rights reserved, unless otherwise indicated.