Open AccessThe fate of the tert-butyl radical in low-temperature autoignition reactions
Author(s) -
Kevin B. Moore,
Justin M. Turney,
Henry F. Schaefer
Publication year - 2017
Publication title -
journal of chemical physics online/the journal of chemical physics/journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4983128
Subject(s) - chemistry , hydrogen atom abstraction , radical , transition state , dissociation (chemistry) , activation energy , intramolecular force , transition state theory , bond dissociation energy , moiety , hydrogen , computational chemistry , activation barrier , reaction rate constant , kinetics , density functional theory , stereochemistry , organic chemistry , catalysis , physics , quantum mechanics