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Tag: computational modelling

Computational Modelling as a Tool in Catalytic Science

A special collection of thematically related manuscripts by UK Catalysis Hub members has been published by the Royal Society in 2023 PCCP Reviews, Phys. Chem. Chem. Phys., 2023, Advance Article. Computational modelling techniques now play a vital role in catalytic science. Atomic and molecular level simulation is used widely andā€¦

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Past webinar: Joint Seminar with Prof. Fernanda Duarte – Chemical reactivity in solution and under confinement & Dr Ai-Lan Lee – Catalysis: Gold, Silver, Light

When: 22 February 2021, 15:00 GMT Prof. Fernanda Duarte (Oxford) & Dr Ai-Lan Lee (Heriot-Watt) gave a joint seminar. Prof. Fernanda Duarte (Oxford)Chemical reactivity in solution and under confinement ā€“ Applications and computational developments Recent advances in both experimental and computational techniques pose an exciting yet challenging time for chemistry. Current computationalā€¦

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