An investigation of the pyranose ring interconversion path of α-l-idose calculated using density functional theory

Carbohydrate Research

Volumn 341, Issue 15, 2006, Pages 2565-2574

  Kurihara, Youji ^a   Ueda, Kazuyoshi ^a  

^a YOKOHAMA NATIONAL UNIVERSITY   (Japan)

Author keywords

Ab initio calculation; Idopyranose conformation; Ring puckering; Transition state

Indexed keywords

IDOPYRANOSE CONFORMATION; INTRINSIC REACTION COORDINATES (IRC); OPTIMIZED CONFORMATIONS;

CONFORMATIONS; HYDROGEN BONDS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; REACTION KINETICS;

CARBOHYDRATES;

ALCOHOL; ALPHA LEVO IDOSE; CARBOHYDRATE DERIVATIVE; PYRAN DERIVATIVE; PYRANOSE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CARBOHYDRATE ANALYSIS; CONFORMATION; CONFORMATIONAL TRANSITION; DENSITY FUNCTIONAL THEORY; ENERGY; PRIORITY JOURNAL; STRUCTURE ANALYSIS;

CARBOHYDRATE CONFORMATION; HEXOSES; MODELS, MOLECULAR; MODELS, THEORETICAL;

EID: 33748913919     PISSN: 00086215     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carres.2006.07.015     Document Type: Article

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