Residual chemical shift anisotropy (RCSA): A tool for the analysis of the configuration of small molecules

Angewandte Chemie - International Edition

Volumn 50, Issue 40, 2011, Pages 9487-9490

  Hallwass, Fernando ^a,b   Schmidt, Manuel ^a   Sun, Han ^a   Mazur, Adam ^a   Kummerlöwe, Grit ^d   Luy, Burkhard ^d   Navarro Vázquez, Armando ^c   Griesinger, Christian ^a   Reinscheid, Uwe M ^a  

^a MAX PLANCK INSTITUTE FOR BIOPHYSICAL CHEMISTRY   (Germany)

^b FEDERAL UNIVERSITY OF PERNAMBUCO   (Brazil)

^c UNIVERSITY OF VIGO   (Spain)

^d KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

configuration determination; density functional calculations; estrone; NMR spectroscopy; residual chemical shift anisotropy; residual dipolar coupling

Indexed keywords

CONFIGURATION DETERMINATION; DENSITY-FUNCTIONAL CALCULATIONS; ESTRONE; RESIDUAL CHEMICALS; RESIDUAL DIPOLAR COUPLINGS;

ANISOTROPY; CHEMICAL ANALYSIS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ORGANIC SOLVENTS; TENSORS;

CHEMICAL SHIFT;

ESTRONE; SOLVENT;

ANISOTROPY; ARTICLE; CHEMICAL MODEL; CHEMISTRY; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE; STEREOISOMERISM;

ANISOTROPY; ESTRONE; MODELS, CHEMICAL; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; SOLVENTS; STEREOISOMERISM;

EID: 80053158729     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.201101784     Document Type: Article

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