Ab initio computation of electron affinities of substituted benzalacetophenones (chalcones): A new approach to substituent effects in organic electrochemistry

Electrochimica Acta

Volumn 50, Issue 4, 2004, Pages 1039-1047

  Hicks, Latorya D ^a   Fry, Albert J ^a   Kurzweil, Vanessa C ^a  

^a WESLEYAN UNIVERSITY   (United States)

Author keywords

Ab initio computations; Benzalacetophenones; Chalcones; Density functional theory; Substituent effects

Indexed keywords

COMPUTATIONAL METHODS; CORRELATION METHODS; ELECTROCHEMISTRY; PROBABILITY DENSITY FUNCTION; SET THEORY; SUBSTITUTION REACTIONS; SYNTHESIS (CHEMICAL);

AB INITIO COMPUTATIONS; BENZALACETOPHENONES; CHALCONES; SUBSTITUENT EFFECTS;

BENZENE;

EID: 9644303474     PISSN: 00134686     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.electacta.2004.08.003     Document Type: Article

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