A DFT study of the conformational behavior of para-substituted acetophenones in vacuum and in various solvents

Journal of Molecular Structure: THEOCHEM

Volumn 950, Issue 1-3, 2010, Pages 13-19

  Haloui, Abir ^a   Arfaoui, Youssef ^a  

^a FACULTÉ DES SCIENCES DE TUNIS   (Tunisia)

Author keywords

DFT(B3LYP); Para substituted acetophenone; Rotational barrier; Solvent effect; Substituent effect

Indexed keywords

EID: 84961983287     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2010.03.012     Document Type: Article

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