New Karplus equations for 2JHH, 3JHH, 2JCH, 3JCH, 3JCOCH, 3JCSCH, and 3JCCCH in some aldohexopyranoside derivatives as determined using NMR spectroscopy and density functional theory calculations

Carbohydrate Research

Volumn 342, Issue 14, 2007, Pages 2086-2096

  Tafazzoli, Mohsen ^a   Ghiasi, Mina ^a  

^a SHARIF UNIVERSITY OF TECHNOLOGY   (Iran)

Author keywords

DFT; Galactose; Glucose; J HMBC; Karplus; NMR

Indexed keywords

GALACTOSE; HYDROXYMETHYL GROUP; J-HMBC; KARPLUS;

DENSITY FUNCTIONAL THEORY; DERIVATIVES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; POTENTIAL ENERGY SURFACES; RATE CONSTANTS; REACTION KINETICS;

CARBOHYDRATES;

ALDOHEXOPYRANOSIDE DERIVATIVE; AMINOSUGAR; GALACTOSE; GLUCOSE; GLYCOSIDE; GLYCOSYL HALIDE; HALIDE; PYRANOSIDE; THIOGLYCOSIDE; UNCLASSIFIED DRUG;

AQUEOUS SOLUTION; ARTICLE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY TRANSFER; KARPLUS EQUATION; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PRIORITY JOURNAL; PROTON NUCLEAR MAGNETIC RESONANCE; QUANTUM MECHANICS; REGRESSION ANALYSIS;

CARBOHYDRATE CONFORMATION; GLYCOSIDES; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MODELS, THEORETICAL; SOLUTIONS;

EID: 34547222471     PISSN: 00086215     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carres.2007.05.032     Document Type: Article

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