Treatment of the multimode Jahn-Teller problem in small aromatic radicals

Journal of Physical Chemistry A

Volumn 115, Issue 39, 2011, Pages 10801-10813

  Gruden Pavlović, Maja ^a   García Fernández, Pablo ^b   Andjelković, Ljubica ^c   Daul, Claude ^d   Zlatar, Matija ^c  

^a UNIVERSITY OF BELGRADE   (Serbia)

^b UNIVERSITY OF CANTABRIA   (Spain)

^c UNIVERSITY OF BELGRADE   (Serbia)

^d UNIVERSITY OF FRIBOURG   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC RADICALS; ELECTRON DISTRIBUTIONS; JAHN-TELLER; JAHN-TELLER PROBLEM; LINEAR COMBINATIONS; MINIMUM ENERGY; MULTIDETERMINANTAL; MULTIMODES; NORMAL MODES; STABILIZATION ENERGY; TOTALLY SYMMETRIC;

AROMATIC HYDROCARBONS;

DENSITY FUNCTIONAL THEORY;

EID: 80053397548     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp206083j     Document Type: Article

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