Theoretical consideration of singlet open-shell character of polyperiacenes using Clar's aromatic sextet valence bond model and quantum chemical calculations

AIP Conference Proceedings

Volumn 1504, Issue , 2012, Pages 399-405

  Shimizu, Akihiro ^a   Hirao, Yasukazu ^a   Kubo, Takashi ^a   Nakano, Masayoshi ^a   Botek, Edith ^b   Champagne, Benoît ^b  

^a OSAKA UNIVERSITY   (Japan)

^b UNIVERSITY OF NAMUR   (Belgium)

Author keywords

Clar's aromatic sextet; Graphene; NICS; Open shell character; Polyperiacene

Indexed keywords

EID: 84873207679     PISSN: 0094243X     EISSN: 15517616     Source Type: Conference Proceeding    
DOI: 10.1063/1.4771733     Document Type: Conference Paper

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