Examination of electronic structures of C2-60 and C3-60with consideration of mixing of the triply-degenerated t1u and t1g molecular orbitals of C60

Journal of Physics and Chemistry of Solids

Volumn 58, Issue 11, 1997, Pages 1901-1905

  Okada, Mayumi ^a   Huang, Yuanhe ^a,c   Yamabe, Tokio ^b   Tanaka, Kazuyoshi ^b  

^a INSTITUTE FOR FUNDAMENTAL CHEMISTRY   (Japan)

^b KYOTO UNIVERSITY   (Japan)

^c BEIJING NORMAL UNIVERSITY   (China)

Author keywords

Anionised C60; Configuration interaction method; Electronic structure; Mixing of molecular orbitals

Indexed keywords

CALCULATIONS; ELECTRONIC STRUCTURE; IONS; MOLECULAR STRUCTURE;

ANIONS; MOLECULAR ORBITALS;

FULLERENES;

EID: 0031276359     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-3697(97)00082-6     Document Type: Article

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