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Computational analysis of the calculated and measured optical rotation (OR) together with other calculated chiroptical properties such as electronic circular dichroism (ECD) and vibrational circular dichroism (VCD) of the prodigiosin alkaloid streptorubin B

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Henry Rzepa's  research data archive of computational chemistry results supporting research publications and blog posts and endorsing the concept of FAIR (Findable, accessible, inter-operable and re-usable) data. 

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