Abstract:The structures of many small molecules have been determined using residual dipolar couplings (RDCs) and the singular value decomposition method (SVD). Here, a key part of the SVD method is examined. The methods used to predict the 3‐dimensional structures of molecules used in the SVD methodology for comparison with RDCs were examined for their impact on the quality of agreement that those structures had with observed RDCs. It was observed that the method of generating a proposed structure had a great impact on… Show more
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