Complete 13C NMR chemical shifts assignment for cholesterol crystals by combined CP-MAS spectral editing and ab initio GIPAW calculations with dispersion forces

Journal of Physical Chemistry A

Volumn 116, Issue 14, 2012, Pages 3765-3769

  Küçükbenli, Emine ^a,c   Sonkar, Kanchan ^b   Sinha, Neeraj ^b   De Gironcoli, Stefano ^a  

^a IOM CNR LABORATORIO TASC   (Italy)

^b Center for Bio Medical Magnetic Resonance Lucknow   (India)

^c EPFL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO CALCULATIONS; CHOLESTEROL CRYSTALS; CRYSTAL POLYMORPH; CRYSTALLINE POLYMORPHS; DISPERSION FORCE; EXPERIMENTAL TECHNIQUES; LOW TEMPERATURES; NMR CHEMICAL SHIFTS; NMR CRYSTALLOGRAPHY; NMR SPECTRUM; OVERLAPPING PEAKS; PROJECTOR AUGMENTED WAVES; SOLID STATE NMR; SPECTRAL EDITING; SPECTRAL FEATURE;

BIOMATERIALS; CHOLESTEROL; CRYSTALLOGRAPHY; DISPERSION (WAVES); MAGIC ANGLE SPINNING; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

CALCULATIONS;

CARBON; CHOLESTEROL; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CRYSTALLIZATION; NUCLEAR MAGNETIC RESONANCE; QUANTUM THEORY; X RAY CRYSTALLOGRAPHY;

CARBON ISOTOPES; CHOLESTEROL; CRYSTALLIZATION; CRYSTALLOGRAPHY, X-RAY; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; QUANTUM THEORY; WATER;

EID: 84859799281     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp3019974     Document Type: Article

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