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Modeling β-scission reactions of peptide backbone alkoxy radicals: backbone C-C bond fission

Wood, Geoffrey; Rauk, Arvi; Radom, Leo

Description

To model the C-C β-scission reactions of backbone peptide alkoxy radicals, enthalpies and barriers for the fragmentation of four substituted alkoxy radicals have been calculated with a variety of ab initio molecular orbital theory and density functional

CollectionsANU Research Publications
Date published: 2005
Type: Journal article
URI: http://hdl.handle.net/1885/82009
Source: Journal of Chemical Theory and Computation (JCTC)
DOI: 10.1021/ct050133g

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