Conformational study of erythritol and threitol in the gas state by density functional theory calculations

Carbohydrate Research

Volumn 340, Issue 2, 2005, Pages 283-291

  Lopes Jesus, António J ^a   Tomé, Luciana I N ^a   Rosado, Mário Túlio S ^a   Leitão, M Luísa P ^a   Redinha, José S ^a  

^a UNIVERSITY OF COIMBRA   (Portugal)

Author keywords

Conformation; DFT; Enthalpy; Erythritol; Gibbs energy; Intramolecular H bonds; Threitol

Indexed keywords

CONFORMATIONAL STABILITY; DIASTEREOMERS; ELECTRONIC ENERGY; MESO ISOMERS;

CONFORMATIONS; GIBBS FREE ENERGY; HYDROGEN BONDS; ISOMERS; PROBABILITY DENSITY FUNCTION; THERMODYNAMICS;

ALCOHOLS;

ERYTHRITOL; HYDROGEN; HYDROXYL GROUP; THREITOL;

ARTICLE; CONFORMATION; DENSITY FUNCTIONAL THEORY; DIASTEREOISOMER; ENERGY; ENTHALPY; GAS; HYDROGEN BOND; ISOMER; PRIORITY JOURNAL; THERMODYNAMICS;

CARBOHYDRATE CONFORMATION; ERYTHRITOL; GASES; HYDROGEN BONDING; ISOMERISM; MODELS, CHEMICAL; MODELS, MOLECULAR; STRUCTURE-ACTIVITY RELATIONSHIP; SUGAR ALCOHOLS;

EID: 11844272605     PISSN: 00086215     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carres.2004.11.018     Document Type: Article

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