Static and dynamic approaches for the calculation of NMR parameters: Permanganate ion as a case study

Journal of Molecular Structure: THEOCHEM

Volumn 762, Issue 1-3, 2006, Pages 133-137

  Ciofini, Ilaria ^a   Adamo, Carlo ^a  

^a PSL RESEARCH UNIVERSITY   (France)

Author keywords

ADMP; DFT; NMR chemical shieldings; Permanganate ion; Vibrational average

Indexed keywords

EID: 84962449639     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.10.057     Document Type: Article

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