GIAO ab initio calculations of nuclear shieldings of monosubstituted benzenes and N-substituted pyrazoles

Journal of Molecular Structure: THEOCHEM

Volumn 453, Issue 1-3, 1998, Pages 255-273

  Begtrup, Mikael ^a   Balle, Thomas ^a   Claramunt, Rosa María ^b   Sanz, Dionisia ^b   Jiménez, José Antonio ^b   Mó, Otilia ^c   Yáñez, Manuel ^c   Elguero, José ^d  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

^b UNIVERSIDAD NACIONAL DE EDUCACIÓN A DISTANCIA   (Spain)

^c UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

^d INSTITUTO DE QUÍMICA MÉDICA   (Spain)

Author keywords

13C NMR; 1H NMR; Benzenes; DFT; GIAO; Pyrazoles

Indexed keywords

EID: 0008151068     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(98)00214-0     Document Type: Article

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