Determination of the three-dimensional structure of oligosaccharides in the solid state from experimental 13C NMR data and ab initio chemical shift surfaces

Carbohydrate Research

Volumn 340, Issue 6, 2005, Pages 1165-1174

  Sergeyev, Ivan ^a   Moyna, Guillermo ^a  

^a UNIVERSITY OF THE SCIENCES   (United States)

Author keywords

13C NMR spectroscopy; Ab initio calculations; Chemical shift surfaces; GIAO; Molecular modeling; NMR constraints; Oligosaccharide conformation

Indexed keywords

CARBON; CRYSTALS; DATA REDUCTION; MATHEMATICAL MODELS; NUCLEAR MAGNETIC RESONANCE; THREE DIMENSIONAL;

CHEMICAL SHIFT SURFACES (CSS); MOLECULAR MODELING; OLIGOSACCHARIDES; X-RAY STRUCTURES;

POLYSACCHARIDES;

AMYLOSE; CELLOBIOSE; CELLULOSE; GLYCOSIDE; OLIGOSACCHARIDE; TREHALOSE;

AB INITIO CALCULATION; ARTICLE; CARBOHYDRATE ANALYSIS; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL BOND; CRYSTAL STRUCTURE; MOLECULAR MECHANICS; MOLECULAR MODEL; PRIORITY JOURNAL; SOLID STATE; STRUCTURE ANALYSIS; X RAY ANALYSIS;

CARBOHYDRATE CONFORMATION; CARBOHYDRATE SEQUENCE; CARBON ISOTOPES; IMAGE PROCESSING, COMPUTER-ASSISTED; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; OLIGOSACCHARIDES;

EID: 15944420209     PISSN: 00086215     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carres.2005.02.022     Document Type: Article

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