Molecular modeling study of para amino benzoic acids recognition by β-cyclodextrin

Molecular modeling study of para amino benzoic acids recognition by β-cyclodextrin

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<div align="justify">AM1 and PM3 methods were applied to investigate equilibrium geometries of inclusion complexes formed between ß-CD and neutral, anionic and cationic species of PABA (Para amino benzoic acid). ß-CD can bind to these three species (two possible o...

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Bibliographic Details
Main Authors:	Madi Fatiha, Khatmi Djameleddine, largate Leila
Format:	Article
Language:	English
Published:	Universidade Federal de Mato Grosso do Sul 2008-12-01
Series:	Orbital: The Electronic Journal of Chemistry
Subjects:	paba, cyclodextrin, inclusion complex, pm3, am1, b3lyp/6-31g*
Online Access:	http://orbital.ufms.br/index.php/Chemistry/article/view/8

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