Springer Online Journal Archives 1860-2000
Chemistry and Pharmacology
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.
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