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Article: Ab Initio Density Functional vs Hartree Fock Predictions for the Structure of [18]Annulene: Evidence for Bond Localization and Diminished Ring Currents in Bicycloannelated [18]Annulenes

TitleAb Initio Density Functional vs Hartree Fock Predictions for the Structure of [18]Annulene: Evidence for Bond Localization and Diminished Ring Currents in Bicycloannelated [18]Annulenes
Authors
Baldridge, Kim K.Siegel, Jay S.
KeywordsAb initio calculations
Annulenes
Aromaticity
Bond-length alternations
Density functional calculations
Issue Date1997
Citation
Angewandte Chemie (International Edition in English), 1997, v. 36, n. 7, p. 745-748 How to Cite?
DOI: http://dx.doi.org/10.1002/anie.199707451
Persistent Identifierhttp://hdl.handle.net/10722/341498
ISSN
0570-0833

 

DC FieldValueLanguage
dc.contributor.authorBaldridge, Kim K.-
dc.contributor.authorSiegel, Jay S.-
dc.date.accessioned2024-03-13T08:43:16Z-
dc.date.available2024-03-13T08:43:16Z-
dc.date.issued1997-
dc.identifier.citationAngewandte Chemie (International Edition in English), 1997, v. 36, n. 7, p. 745-748-
dc.identifier.issn0570-0833-
dc.identifier.urihttp://hdl.handle.net/10722/341498-
dc.languageeng-
dc.relation.ispartofAngewandte Chemie (International Edition in English)-
dc.subjectAb initio calculations-
dc.subjectAnnulenes-
dc.subjectAromaticity-
dc.subjectBond-length alternations-
dc.subjectDensity functional calculations-
dc.titleAb Initio Density Functional vs Hartree Fock Predictions for the Structure of [18]Annulene: Evidence for Bond Localization and Diminished Ring Currents in Bicycloannelated [18]Annulenes-
dc.typeArticle-
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1002/anie.199707451-
dc.identifier.scopuseid_2-s2.0-0030835862-
dc.identifier.volume36-
dc.identifier.issue7-
dc.identifier.spage745-
dc.identifier.epage748-

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