Recent Advances in Nuclear Shielding Calculations

Annual Reports on NMR Spectroscopy

Volumn 77, Issue , 2012, Pages 1-80

  de Dios, Angel C ^a   Jameson, Cynthia J ^b  

^a GEORGETOWN UNIVERSITY   (United States)

^b UNIVERSITY OF ILLINOIS AT CHICAGO   (United States)

Author keywords

Absolute shielding; Chemical shifts; Chirality; Cluster models; Conformational dependence; Density functional theory; Disorder in crystals; Electron correlation; Four component calculations; Gas phase NMR; Hydrogen bonds; Intra and intermolecular effects; Isotope shifts; Medium effects; Molecular dynamics; NMR crystallography; Non bonded interactions; Periodic boundary calculations; Polarizable continuum model; Polymorphs; Pseudopotentials; Relativistic calculations; Rovibrational averaging; Shielding surfaces; Structure determination; Temperature dependence; Tensor; Torsion angles; Two component calculations

Indexed keywords

EID: 84962422700     PISSN: 00664103     EISSN: None     Source Type: Book Series    
DOI: 10.1016/B978-0-12-397020-6.00001-5     Document Type: Chapter

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