Molecular modeling study of para amino benzoic acids recognition by β-cyclodextrin
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 orientations A or B) with negative binding energy, where t...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Universidade Federal de Mato Grosso do Sul
2008-12-01
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| Series: | Orbital: The Electronic Journal of Chemistry |
| Subjects: | |
| Online Access: | https://periodicos.ufms.br/index.php/orbital/article/view/15444 |