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Iglo calculations of the antisymmetric components of nuclear magnetic shielding tensors

1984; Elsevier BV; Volume: 112; Issue: 2 Linguagem: Inglês

10.1016/0009-2614(84)85010-1

1873-4448

Julio C. Facelli, Anita M. Orendt, David M. Grant, Josef Michl,

Enzyme Structure and Function

Calculations of the antisymmetric components of 13C shielding tensors have been performed in several compounds using the IGLO (individual gauge for localized orbitals) method. The results indicate chemical situations in which the detection of the antisymmetric components should be easier than in the cases analyzed by Iwai and Saika.