A comparative study of the calculation of 59Co NMR shielding constants of hexacoordinated diamagnetic Co(III) complexes using DFT-IGLO and DFT-GIAO methods

Journal of Molecular Structure: THEOCHEM

Volumn 393, Issue 1-3 SPEC. ISS., 1997, Pages 93-96

  Chan, Jerry C C ^a   Au Yeung, Steve C F ^a  

^a CHINESE UNIVERSITY OF HONG KONG   (Hong Kong)

Author keywords

Chemical shielding; Cobalt; DFT; GIAO; IGLO; Transition metal

Indexed keywords

EID: 0002334116     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0166-1280(96)04884-1     Document Type: Article

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