Aitken, HeatherHorvat, SoniaSchiesser, CarlLin, Ching-YehCoote, Michelle2015-12-100538-8066http://hdl.handle.net/1885/62530Ab initio and density functional calculations predict that intramolecular homolytic substitution reactions of oxyacyl radicals at the selenium atom in ω-alkylseleno-substituted radicals proceed via mechanisms that do not involve hypervalent intermediatesKeywords: Ab initio and density functional calculations; Gasphase; Homolytic substitution; Rate coefficients; Calculations; Density functional theory; Substitution reactions; Selenium201210.1002/kin.206042016-02-24