Activation enthalpies of pericyclic reactions: The performances of some recently proposed functionals

Theoretical Chemistry Accounts

Volumn 122, Issue 5-6, 2009, Pages 257-264

  Tognetti, Vincent ^a   Cortona, Pietro ^b   Adamo, Carlo ^a  

^a PSL RESEARCH UNIVERSITY   (France)

^b ECOLE CENTRALE PARIS   (France)

Author keywords

1,3 Dipolar cycloadditions; Density functional theory; Exchange correlation functionals; Generalized gradient approximation; Pericyclic reactions

Indexed keywords

EID: 63949088301     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-008-0503-y     Document Type: Article

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