Calculation of NMR chemical shifts in carbohydrates with ONIOM: A study of the conformers of β-D-glucopyranose

Journal of Physical Chemistry A

Volumn 107, Issue 2, 2003, Pages 292-300

  Rickard, Gail A ^a   Karadakov, Peter B ^a   Webb, Graham A ^b   Morokuma, Keiji ^c  

^a UNIVERSITY OF YORK   (United Kingdom)

^b ROYAL SOCIETY OF CHEMISTRY   (United Kingdom)

^c EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; CALCULATIONS; CONFORMATIONS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SOLUTIONS;

CHEMICAL SHIFTS; CONFORMERS; GLUCOPYRANOSE; MOLECULAR ORBITAL;

CARBOHYDRATES;

EID: 0037448462     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp027279l     Document Type: Article

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