Combined ab initio computational and experimental multinuclear solid-state magnetic resonance study of phenylphosphonic acid

Magnetic Resonance in Chemistry

Volumn 42, Issue 5, 2004, Pages 445-452

  Gervais, Christel ^a   Profeta, Mickaël ^b   Lafond, Vincent ^c   Bonhomme, Christian ^a   Azaïs, Thierry ^a   Mutin, Hubert ^c   Pickard, Chris J ^d   Mauri, Francesco ^b   Babonneau, Florence ^a  

^a UNIVERSITÉ PIERRE ET MARIE CURIE   (France)

^b UNIVERSITÉ PIERRE ET MARIE CURIE   (France)

^c CNRS   (France)

^d UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

13C NMR; 17O NMR; 1H NMR; 31P NMR; NMR; Phenylphosphonic acid; Solid state NMR

Indexed keywords

CHEMICAL BONDS; CHEMICAL SHIFT; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

13C NMR; 17O NMR; 1H NMR; 31P-NMR; AB INITIO; CHEMICAL SHIFT TENSORS; MULTINUCLEAR SOLID STATE; PERIODIC BOUNDARY CONDITIONS; PHENYLPHOSPHONIC ACIDS; SOLID STATE NMR;

MOLECULES;

OXYGEN DERIVATIVE; PHENYL GROUP; PHOSPHONIC ACID DERIVATIVE;

AB INITIO CALCULATION; ACCURACY; ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL MODIFICATION; CRYSTAL STRUCTURE; EXPERIMENTAL TEST; HYBRIDIZATION; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PARAMETER; PHOSPHORUS NUCLEAR MAGNETIC RESONANCE; POLARIZATION; PROTON NUCLEAR MAGNETIC RESONANCE; REACTION ANALYSIS; SOLID STATE; STRUCTURE ANALYSIS;

EID: 10944263692     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/mrc.1360     Document Type: Article

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