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A predictive screening tool to evaluate the efficiency of Z/E photoisomerizable molecular switches

Posted in biological, chemistry, quantum physics

Cis-trans photoisomerization is a key process for many processes in biology and materials science, but only careful and time-consuming quantum chemistry methods can describe such reaction in detail. Here, a predictive tool is presented requiring few and affordable calculations, evaluating the efficiency of paradigmatic and modified photoswitches.

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