An ab initio study of the structures and selected properties of 1,2-dihydro-1,2-azaborine and related molecules

Journal of Chemical Theory and Computation

Volumn 5, Issue 9, 2009, Pages 2239-2247

  Del Bene, Janet E ^a   Yáez, Manuel ^b   Alkorta, Ibon ^c   Elguero, José ^c  

^a One University Plaza   (Spain)

^b UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

^c INSTITUTO DE QUÍMICA MÉDICA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 73349119127     PISSN: 15499618     EISSN: None     Source Type: Journal    
DOI: 10.1021/ct900128v     Document Type: Article

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54. 13C3) equal to 74 ± 1 Hz. The calculated EOM- CCSD value is 72.8 Hz.