Tim Raeker

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Using QM/MM methods, we have simulated the action of a simple molecular machine, a cilium. It consists of a platform for surface mounting, a photochemical motor unit, and a tail-like effector that amplifies the small-scale conformational change of the motor unit into a larger-scale beating motion usable for molecular transport. In this proof-of-principle(More)
Salicylic acid (SAc) and its excited-state intramolecular proton transfer (ESIPT) capabilities have been studied both experimentally and theoretically by static calculations. However, to our knowledge, no radiationless pathway has been proposed so far. Instead, excited-state deactivation was only investigated via fluorescence. Therefore, we will present(More)
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