Theoretical investigation of Oxygen-17 NMR shielding and electric field gradients in glutamic acid polymorphs

Journal of Physical Chemistry A

Volumn 108, Issue 28, 2004, Pages 6032-6037

  Yates, Jonathan R ^a   Pickard, Chris J ^a   Payne, Mike C ^a   Dupree, Ray ^b   Profeta, Mickael ^c   Mauri, Francesco ^c  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSITY OF WARWICK   (United Kingdom)

^c UNIVERSITÉ PIERRE ET MARIE CURIE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL STRUCTURE; ELECTRIC FIELDS; HYDROGEN BONDS; NEUTRON DIFFRACTION; NUCLEAR MAGNETIC RESONANCE; OXYGEN; PARAMETER ESTIMATION; PROBABILITY DENSITY FUNCTION; SHIELDING; X RAY DIFFRACTION ANALYSIS;

ELECTRIC FIELD GRADIENTS; GLUMATIC ACID POLYMORPHS; MAGIC-ANGLE SPINNING (MAS); NUCLEAR MAGNETIC RESONANCE SHIELDING;

CARBOXYLIC ACIDS;

EID: 3242886145     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp049362+     Document Type: Article

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