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Predicting Barriers for Reactions on Metals

工作坊
Wilhelm und Else Heraeus-Stiftung Leiden, 荷兰 2025

信息

A focused scientific workshop addressing the computation and validation of reaction barriers for dissociative chemisorption on metal surfaces, including electronic structure, non-adiabatic methods, potential energy surface fitting and dynamics. The event will bring together theorists and experimentalists to develop strategies and benchmarks for achieving chemical accuracy in systems prone to electron transfer. The workshop aims to foster collaboration, ideas and validation against state-of-the-art experiments. It is organized as a WE Heraeus - Lorentz Workshop held at the Lorentz Center in Leiden.

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