A first-principles computational 17O NMR investigation of metal ion-oxygen interactions in carboxylate oxygens of alkali oxalates

Chemical Physics

Volumn 337, Issue 1-3, 2007, Pages 144-150

  Wong, Alan ^a   Thurgood, Gary ^a   Dupree, Ray ^a   Smith, Mark E ^a  

^a UNIVERSITY OF WARWICK   (United Kingdom)

Author keywords

17O NMR; Chemical anisotropy shifts; DFT calculations; Electrical field gradients; Metal ion oxygen interactions; Oxalates

Indexed keywords

EID: 34547830979     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2007.07.007     Document Type: Article

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