Computational modeling of isotropic electron paramagnetic resonance spectra of doublet state main group radicals

Journal of Organometallic Chemistry

Volumn 692, Issue 13, 2007, Pages 2705-2715

  Tuononen, Heikki M ^a   Chivers, Tristram ^b   Armstrong, Andrea ^b   Fedorchuk, Chantall ^b   Boeré, René T ^c  

^a UNIVERSITY OF JYVÄSKYLÄ   (Finland)

^b UNIVERSITY OF CALGARY   (Canada)

^c UNIVERSITY OF LETHBRIDGE   (Canada)

Author keywords

DFT calculations; EPR spectroscopy; Main group radicals; Spectral simulation

Indexed keywords

COMPLEXATION; COMPUTATIONAL METHODS; COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; PARAMAGNETIC RESONANCE;

DFT CALCULATIONS; EPR SPECTROSCOPY; MAIN GROUP RADICALS; SPECTRAL SIMULATION;

FREE RADICALS;

EID: 34248209083     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2006.12.019     Document Type: Article

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