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

Angewandte Chemie (International Edition in English)

Volumn 36, Issue 7, 1997, Pages 745-748

  Baldridge, Kim K ^b   Siegel, Jay S ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Ab initio calculations; Annulenes; Aromaticity; Bond length alternations; Density functional calculations

Indexed keywords

EID: 0030835862     PISSN: 05700833     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.199707451     Document Type: Article

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