2016
DOI: 10.1002/chin.201636188
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ChemInform Abstract: Two New Flavonoids from Derris eriocarpa How.

Abstract: isolation and structure elucidation of two new flavonoids (I) and (II)

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“…Each optimized structure was used for the TDDFT calculation at the same theoretic level and solvation model to generate a set of excitation energy and the corresponding rotational strength, which were then plotted by using a Gaussian function to generate the theoretically calculated ECD spectra. [ ] In the 200 – 400 nm region, the theoretically calculated ECD spectrum of 1 was in good agreement with the experimental ECD ( Figure ), which supported the assignment of the absolute configuration for 1 .…”
Section: Methodssupporting
confidence: 76%
“…Each optimized structure was used for the TDDFT calculation at the same theoretic level and solvation model to generate a set of excitation energy and the corresponding rotational strength, which were then plotted by using a Gaussian function to generate the theoretically calculated ECD spectra. [ ] In the 200 – 400 nm region, the theoretically calculated ECD spectrum of 1 was in good agreement with the experimental ECD ( Figure ), which supported the assignment of the absolute configuration for 1 .…”
Section: Methodssupporting
confidence: 76%