A theoretical study of the conformation, basicity and NMR properties of 2,2'-, 3,3'- and 4,4'-bipyridines and their conjugated acids

Computational and Theoretical Chemistry

Volumn 966, Issue 1-3, 2011, Pages 334-339

  Alkorta, Ibon ^a   Elguero, José ^a   Roussel, Christian ^b  

^a INSTITUTO DE QUÍMICA MÉDICA   (Spain)

^b AIX MARSEILLE UNIVERSITÉ   (France)

Author keywords

B3LYP; Barriers; Bipyridines; GIAO; NMR; Protonation

Indexed keywords

EID: 80052576696     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2011.03.034     Document Type: Article

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