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

Wood, GeoffreyRauk, ArviRadom, Leo2015-12-131549-9618http://hdl.handle.net/1885/82009To 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 functionalModeling β-scission reactions of peptide backbone alkoxy radicals: backbone C-C bond fission200510.1021/ct050133g2015-12-11