Prediction of singlet-triplet splittings for aryne biradicals from 1H hyperfine interactions in aryl radicals

Journal of Physical Chemistry A

Volumn 101, Issue 49, 1997, Pages 9191-9194

  Cramer, Christopher J ^a   Squires, Robert R ^b  

^a University of Minnesota   (United States)

^b PURDUE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; ELECTRON ENERGY LEVELS; HYDROCARBONS;

ARYNE BIRADICALS; DENSITY FUNCTIONAL METHOD; HYPERFINE COUPLING;

FREE RADICALS;

EID: 0031553263     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp973119b     Document Type: Article

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52. Squires, R. R.; Cramer, C. J., to be published.