Theoretical studies of high-spin organic molecules. 1. Enhanced coupling between multiple unpaired electrons

Journal of Physical Chemistry

Volumn 100, Issue 23, 1996, Pages 9631-9637

  Dannenberg, J J ^a   Liotard, Daniel ^b   Halvick, Philippe ^b   Rayez, Jean Claude ^b  

^a CITY UNIVERSITY OF NEW YORK   (United States)

^b UNIVERSITÉ DE BORDEAUX   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; ELECTRONIC STRUCTURE; HYDROCARBONS; MOLECULAR DYNAMICS; ORGANIC COMPOUNDS; PHYSICAL CHEMISTRY;

AB INITIO CALCULATIONS; DIMETHYLENEPOLYCYCLOBUTADIENES; ENHANCED COUPLING; MOLECULAR ORBITALS; MULTIPLE UNPAIRED ELECTRONS; SPIN STATES;

MOLECULES;

EID: 0030572284     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp953552q     Document Type: Article

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