Molecular modeling investigation of para-nitrobenzoic acid interaction in β-cyclodextrin

Journal of Molecular Liquids

Volumn 160, Issue 1, 2011, Pages 1-7

  Leila, Nouar ^a   Sakina, Haiahem ^a   Bouhadiba, Abdelazize ^a   Fatiha, Madi ^a   Leila, Lagrate ^a  

^a UNIVERSITY OF GUELMA   (Algeria)

Author keywords

cyclodextrin; B3LYP 6 31G; MM+; Para nitrobenzoic acid; PM3

Indexed keywords

AROMATIC RINGS; B3LYP/6-31G; COMPLEXATION PROCESS; DENSITY FUNCTION THEORY; GEOMETRY OPTIMIZATION; GUEST MOLECULES; HYDROPHOBIC CAVITIES; HYDROPHOBIC EFFECT; INCLUSION COMPLEXATION; INTERMOLECULAR HYDROGEN BONDS; MM+; NEGATIVE ENTHALPY; NITROBENZOIC ACIDS; PARA-NITROBENZOIC ACID; PM3; STABLE COMPLEXES; STATISTICAL THERMODYNAMICS;

CARBOXYLIC ACIDS; DENSITY FUNCTIONAL THEORY; ENTHALPY; HYDROGEN; HYDROGEN BONDS; HYDROPHOBICITY; INCLUSIONS; REACTION KINETICS;

COMPLEXATION;

EID: 79953060957     PISSN: 01677322     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molliq.2011.02.004     Document Type: Review

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