Abstract
AbstractFour carene β‐amino alcohols are subject of conformational analysis and optical rotation calculations carried out by using density functional theory with the hybrid B3LYP functional and aug‐cc‐pVDZ basis set. Despite relatively small values of the experimental optical rotations and conformational flexibility of these systems, the correct sign for the specific rotation was predicted for three of studied cases.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
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