Can we use on-the-fly quantum simulations to connect molecular structure and sunscreen action?
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DOI: 10.1039/c8fd00228b
Abstract: The ground-up design of new molecular sunscreens, with improved photostability, absorbance and spectral coverage, stands as a challenge to fundamental chemical science. Correlating sunscreen molecular structure and function requires detailed insight into the relaxation pathways… read more here.
Keywords: fly quantum; molecular structure; use fly; quantum simulations ... See more keywords