β-Fragmentation and Other Reactions Involving Aminyl Radicals from Amino Acids

Journal of Physical Chemistry B

Volumn 104, Issue 3, 2000, Pages 643-649

  Bonifačić, Marija ^a   Armstrong, David A ^b   Carmichael, Ian ^c   Asmus, Klaus Dieter ^c  

^a RUDER BO KOVI INSTITUTE   (Croatia)

^b UNIVERSITY OF CALGARY   (Canada)

^c UNIVERSITY OF NOTRE DAME   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0042805567     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp993390o     Document Type: Article

References (29)

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28. + structure or isotropic components of the magnetic hyperfine tensors in HNCN where DFT calculations are in significantly better accord with experimental data than UMP2-based calculations. This does not disregard some problem cases existing for DFT treatment of radicals, but for the most part, DFT appears to provide a considerable improvement over other "low-cost" approaches such as UMP2.
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