Conformations, energies, and intramolecular hydrogen bonds in dicarboxylic acids: Implications for the design of synthetic dicarboxylic acid receptors

Journal of Computational Chemistry

Volumn 26, Issue 12, 2005, Pages 1233-1241

  Nguyen, Thanh Ha ^a   Hibbs, David E ^a   Howard, Siân T ^a  

^a UNIVERSITY OF SYDNEY   (Australia)

Author keywords

Density functional theory; Dicarboxylic acid; Hydrogen bond redshift; Intramolecular hydrogen bond; Synthetic receptor

Indexed keywords

CONFORMATIONS; CONTINUUM MECHANICS; HARMONIC ANALYSIS; HYDROGEN BONDS; MATHEMATICAL MODELS; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY; DICARBOXYLIC ACIDS; HYDROGEN BOND REDSHIFT; INTRAMOLECULAR HYDROGEN BOND; SYNTHETIC RECEPTORS;

CARBOXYLIC ACIDS;

ADIPIC ACID; ADIPIC ACID DERIVATIVE; DICARBOXYLIC ACID; GLUTARIC ACID; GLUTARIC ACID DERIVATIVE; MALONIC ACID; MALONIC ACID DERIVATIVE; SUCCINIC ACID;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; HYDROGEN BOND; ISOMERISM; THERMODYNAMICS;

ADIPIC ACIDS; DICARBOXYLIC ACIDS; GLUTARATES; HYDROGEN BONDING; ISOMERISM; MALONATES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; SUCCINIC ACID; THERMODYNAMICS;

EID: 23844492866     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20259     Document Type: Article

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