MM2 Calculations on Cyclodextrins: Multimodal Inclusion Complexes

F. Pérez, C. Jaime, X. Sánchez-Ruiz

Producció científica: Contribució a revistaArticleRecercaAvaluat per experts

45 Cites (Scopus)

Resum

The properties of cyclodextrin multimodal inclusion complexes were correctly reproduced by MM2-(85) calculations. In spite of the two largest inherent limitations (use of a model and absence of solvent), the method used allows for the correct determination of the complex geometry not only within totally different molecules but also when the differences in the complexes are subtle as a consequence of being produced by the complexation of enantiomeric forms. © 1995, American Chemical Society. All rights reserved.
Idioma originalAnglès
Pàgines (de-a)3840-3845
RevistaJournal of Organic Chemistry
Volum60
Número12
DOIs
Estat de la publicacióPublicada - 1 de juny 1995

Fingerprint

Navegar pels temes de recerca de 'MM2 Calculations on Cyclodextrins: Multimodal Inclusion Complexes'. Junts formen un fingerprint únic.

Com citar-ho