DFT/B3LYP study of O-H bond dissociation enthalpies of para and meta substituted phenols: Correlation with the phenolic C-O bond length

Journal of Molecular Structure: THEOCHEM

Volumn 767, Issue 1-3, 2006, Pages 43-50

  Klein, Erik ^a   Lukeš, Vladimír ^a  

^a SLOVAK UNIVERSITY OF TECHNOLOGY   (Slovakia)

Author keywords

Antioxidant; BDE; Bond length; DFT; Hydrogen atom transfer; Phenol

Indexed keywords

EID: 33747893654     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.04.017     Document Type: Article

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