Triplet fluoranthenes: Aromaticity versus unpaired electrons

Journal of Molecular Modeling

Volumn 17, Issue 4, 2011, Pages 805-810

  Marković, Svetlana ^a   Crossed D Signurcrossed D Signević, Jelena ^a   Jeremić, Svetlana ^a   Gutman, Ivan ^a  

^a UNIVERSITY OF KRAGUJEVAC   (Serbia)

Author keywords

Complete active space calculation; Diradical; Singlet diradical; Triplet state; Unrestricted symmetry broken method

Indexed keywords

2,2 DIMETHYL 2H DIBENZO[CD,K]FLUORANTHENE; AROMATIC HYDROCARBON; FLUORANTHENE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; ELECTRON; PRIORITY JOURNAL; RADICAL REACTION;

COMPUTER SIMULATION; ELECTRONS; FLUORENES; MODELS, CHEMICAL; MOLECULAR STRUCTURE;

EID: 79958110394     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0778-5     Document Type: Article

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