Electronic structure calculations of vitamin E analogues: A model for calculated geometries, hyperfine coupling constants, reaction enthalpies (ΔHr) and relative bond dissociation enthalpies (ΔBDE)

Journal of Molecular Structure: THEOCHEM

Volumn 811, Issue 1-3, 2007, Pages 249-254

  Singh, Nakul K ^a   O'Malley, Patrick J ^a   Popelier, Paul L A ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

Anti oxidants; Bond dissociation enthalpy; Hyperfine coupling constants; Phenols; Radicals; Reaction enthalpy for H atom abstraction

Indexed keywords

EID: 34248388066     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.01.034     Document Type: Article

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