A theoretical study of the conformation of 2,2'-bifuran, 2,2'-bithiophene, 2,2'-bitellurophene and mixed derivatives: Chalcogen-chalcogen interactions or dipole-dipole effects?

Computational and Theoretical Chemistry

Volumn 974, Issue 1-3, 2011, Pages 37-42

  Sánchez Sanz, Goar ^a   Alkorta, Ibon ^a   Elguero, José ^a  

^a INSTITUTO DE QUÍMICA MÉDICA   (Spain)

Author keywords

B3LYP; Chalcogen interaction; Dipole moments; MP2; Rotational barriers

Indexed keywords

EID: 84962423933     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2011.07.009     Document Type: Article

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