Computation of relative bond dissociation enthalpies (ΔBDE) of phenolic antioxidants from Quantum Topological Molecular Similarity (QTMS)

Journal of Physical Chemistry A

Volumn 110, Issue 20, 2006, Pages 6498-6503

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

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIOXIDANTS; DATA REDUCTION; DERIVATIVES; DISSOCIATION; ENTHALPY; MATHEMATICAL MODELS; QUANTUM THEORY; SUBSTITUTION REACTIONS;

BOND DISSOCIATION ENTHALPIES; ELECTRONIC DESCRIPTORS; QUANTUM TOPOLOGICAL MOLECULAR SIMILARITY (QTMS); RADICAL STABILIZATION ENTHALPY (RSE);

PHENOLS;

EID: 33745786642     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0553885     Document Type: Article

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