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Circular dichroism calculation for natural products

Alfarius Eko Nugroho1, Hiroshi Morita

  • 1Faculty of Pharmaceutical Sciences, Hoshi University, Ebara 2-4-41 Shinagawa-ku, Tokyo, 142-8501, Japan.

Journal of Natural Medicines
|April 9, 2013
PubMed
Summary

Determining the absolute configuration of chiral natural products is challenging. Electronic circular dichroism (ECD) calculations using time-dependent density functional theory (TDDFT) offer a powerful method for this structure elucidation.

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