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  • Title: Circular dichroism calculation for natural products.
    Author: Nugroho AE, Morita H.
    Journal: J Nat Med; 2014 Jan; 68(1):1-10. PubMed ID: 23564068.
    Abstract:
    Determination of the absolute configuration (AC) is often a challenging aspect in the structure elucidation of natural products. When chiral compounds possess appropriate chromophore(s), electronic circular dichroism (ECD) may provide a powerful approach to the determination of their absolute configuration. Recently, ECD calculations by time-dependent density functional theory (TDDFT) have come to be used more commonly. In the present review, we give several examples of recent studies using TDDFT-calculated ECD spectra for the AC determination of natural products.
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