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Search for "molecular modelling" in Full Text gives 51 result(s) in Beilstein Journal of Organic Chemistry.

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  • conformations of the piperidines 20-22 were determined using a combination of three approaches: (a) analysis of the magnitude of vicinal coupling constants (see Table 2); (b) the observation of through-space nOe correlations; and (c) molecular modelling using the MMFF force field. The determination of the
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Published 26 Aug 2005
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