Theoretical calculations of hypersurfaces of the 13C chemical shift anisotropy in the C{double bond, long}O⋯H{single bond}N hydrogen bond and the benefit for the ab initio structure determination

Journal of Molecular Structure: THEOCHEM

Volumn 824, Issue 1-3, 2007, Pages 58-70

  Sehnert, Jan ^a   Bärwinkel, Kilian ^a   Senker, Jürgen ^a  

^a UNIVERSITY OF BAYREUTH   (Germany)

Author keywords

13C MAS NMR; Chemical shift calculation; DFT calculation; Hydrogen bond

Indexed keywords

EID: 35548979036     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.08.029     Document Type: Article

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