Rate Constants of Hydroperoxyl Radical Addition to Cyclic Nitrones: A DFT Study
نویسندگان
چکیده
منابع مشابه
Spin trapping of hydroperoxyl radical by a cyclic nitrone conjugated to β-cyclodextrin: a computational study.
Spin trapping of hydroperoxyl radical (HOO.) by the amide-linked conjugate of 5-carbamoyl-5-methyl-1-pyrroline N-oxide (AMPO) to β-cyclodextrin (β-CD) was studied computationally using a two-layered ONIOM method. From a conformational perspective, the "internal" conformation of 5R-β-CD-AMPO is more favored than the "external" conformation in which the nitrone is located outside of the cavity of...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry A
سال: 2007
ISSN: 1089-5639,1520-5215
DOI: 10.1021/jp073615s