DFT/B3LYP study of the substituent effect on the reaction enthalpies of the individual steps of sequential proton loss electron transfer mechanism of phenols antioxidant action: Correlation with phenolic C{single bond}O bond length

Journal of Molecular Structure: THEOCHEM

Volumn 805, Issue 1-3, 2007, Pages 153-160

  Klein, Erik ^a   Lukeš, Vladimír ^a  

^a SLOVAK UNIVERSITY OF TECHNOLOGY   (Slovakia)

Author keywords

Hydrogen atom transfer; PA; Proton affinity; SPLET; Substituted phenol

Indexed keywords

EID: 33846625940     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.11.002     Document Type: Article

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