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Generating reliable and reproducible data for reusable quantum chemical reaction free-energy profiles
The guidance of experimental studies with computational exploration of reaction mechanisms has become a key tool in chemistry. This Perspective highlights challenges and best practices for generating reliable, reproducible and reusable data for quantum chemical calculations of reaction free-energy profiles.
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Elucidation of the final steps in Taxol biosynthesis and its biotechnological production
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Ethylene electrosynthesis at low voltages enabled by dopant-induced modulation of the rate-determining step
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From light to life-like protocells
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Light-fuelled growth dynamics and structural transition of synthetic protocells