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

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dc.contributor.authorWood, Geoffrey
dc.contributor.authorRauk, Arvi
dc.contributor.authorRadom, Leo
dc.date.accessioned2015-12-13T22:53:53Z
dc.date.issued2005
dc.date.updated2015-12-11T11:00:19Z
dc.description.abstractTo 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
dc.identifier.issn1549-9618
dc.identifier.urihttp://hdl.handle.net/1885/82009
dc.publisherAmerican Chemical Society
dc.sourceJournal of Chemical Theory and Computation (JCTC)
dc.titleModeling β-scission reactions of peptide backbone alkoxy radicals: backbone C-C bond fission
dc.typeJournal article
local.bibliographicCitation.issue5
local.bibliographicCitation.lastpage899
local.bibliographicCitation.startpage889
local.contributor.affiliationWood, Geoffrey, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationRauk, Arvi, University of Calgary
local.contributor.affiliationRadom, Leo, College of Physical and Mathematical Sciences, ANU
local.contributor.authoruidWood, Geoffrey, u4040010
local.contributor.authoruidRadom, Leo, u7401603
local.description.embargo2037-12-31
local.description.notesImported from ARIES
local.description.refereedYes
local.identifier.absfor030799 - Theoretical and Computational Chemistry not elsewhere classified
local.identifier.ariespublicationMigratedxPub10309
local.identifier.citationvolume1
local.identifier.doi10.1021/ct050133g
local.identifier.scopusID2-s2.0-33748576150
local.type.statusPublished Version

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