ISSN:
1573-1111
Keywords:
β-Cyclodextrin
;
molecular mechanics
;
decalin
;
inclusion compounds
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract Molecular mechanics calculations with the latest available version of Allinger's MM2 force field (MM2(91)) on the diastereomeric complexes of both enantiomeric conformations ofcis-decalin with β-cyclodextrin show a small preference (1.67 kJ mol−1) for one of them, in agreement with the available13C-NMR results. Calculations were found to be sensitive to the procedure used.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00708761
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