An Ab initio quantum chemical investigation of43Ca NMR interaction parameters for the Ca2+ sites in organic complexes and in metalloproteins

Journal of Physical Chemistry A

Volumn 112, Issue 40, 2008, Pages 9807-9813

  Wong, Alan ^a   Laurencin, Danielle ^a   Wu, Gang ^b   Dupree, Ray ^a   Smith, Mark E ^a  

^a UNIVERSITY OF WARWICK   (United Kingdom)

^b QUEEN S UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

CALCIUM CHLORIDE; COORDINATION REACTIONS; FLOW INTERACTIONS; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ORGANIC COMPOUNDS; PROTEINS; QUANTUM THEORY; SOLUTIONS;

AB INITIO; ANALYTICAL APPROACHES; AQUEOUS SOLUTIONS; BONDING ENVIRONMENTS; BOUND PROTEINS; CHEMICAL SHIELDING; COORDINATION GEOMETRIES; COORDINATION NUMBERS; HYDRATION SHELLS; MAS-NMR; MEAN DISTANCES; METALLOPROTEINS; NATURAL ABUNDANCES; NMR INTERACTION PARAMETERS; NMR STUDIES; ORGANIC COMPLEXES; ORGANIC SOLIDS; QUANTUM CHEMICAL INVESTIGATIONS; QUANTUM CHEMICALS;

CALCIUM;

CALCIUM; METALLOPROTEIN; ORGANIC COMPOUND; OXYGEN;

ARTICLE; CHEMISTRY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; REPRODUCIBILITY; SENSITIVITY AND SPECIFICITY;

CALCIUM; MAGNETIC RESONANCE SPECTROSCOPY; METALLOPROTEINS; ORGANIC CHEMICALS; OXYGEN; QUANTUM THEORY; REPRODUCIBILITY OF RESULTS; SENSITIVITY AND SPECIFICITY;

EID: 54849422224     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp801015y     Document Type: Article

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