First principles determination of 99Ru chemical shifts using moderately sized basis sets

Journal of Molecular Structure: THEOCHEM

Volumn 724, Issue 1-3, 2005, Pages 45-52

  Hratchian, Hrant P ^a   Milletti, M C ^b  

^a WAYNE STATE UNIVERSITY   (United States)

^b EASTERN MICHIGAN UNIVERSITY   (United States)

Author keywords

Chemical shifts; DFT; Hartree Fock; NMR; Ruthenium

Indexed keywords

EID: 20344397454     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.12.020     Document Type: Article

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