DFT studies of β-elimination reactions in water solution with different bases: Theory vs experiment

Journal of Molecular Structure: THEOCHEM

Volumn 940, Issue 1-3, 2010, Pages 103-114

  Mosconi, Edoardo ^a   De Angelis, Filippo ^a   Belpassi, Leonardo ^a   Tarantelli, Francesco ^a   Alunni, Sergio ^a  

^a UNIVERSITY OF PERUGIA   (Italy)

Author keywords

DFT; Elimination reaction; pKa; Transition state

Indexed keywords

EID: 72049114720     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.10.016     Document Type: Article

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