Local electrophilicity predicts the toxicity-relevant reactivity of michael acceptors

Journal of Physical Chemistry Letters

Volumn 1, Issue 10, 2010, Pages 1605-1610

  Wondrousch, Dominik ^a,b   Böhme, Alexander ^a,b   Thaens, Diana ^a,b   Ost, Norbert ^a,b   Schüürmann, Gerrit ^a,b  

^a HELMHOLTZ CENTRE FOR ENVIRONMENTAL RESEARCH UFZ   (Germany)

^b TU BERGAKADEMIE FREIBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DATA SETS; ELECTRONIC CHARGES; ELECTROPHILICITY; ENERGY CHANGES; EXPERIMENTAL INVESTIGATIONS; FUKUI FUNCTIONS; GLUTATHIONES; MICHAEL ACCEPTORS; MUTAGENICITY; NEW PARAMETERS; QUANTUM CHEMICAL PARAMETERS; REACTIVITY PARAMETERS; SITE-SPECIFIC; UNSATURATED CARBONYL COMPOUNDS;

CARBONYLATION; REACTION RATES; TOXICITY;

UNSATURATED COMPOUNDS;

EID: 77952700588     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz100247x     Document Type: Article

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