在Ru上的CO的光诱导动力学{0001}:通过所有自由度的模拟来理解实验

Bruno Mladineo1, J Iñaki Juaristi2,3,4, Maite Alducin3,4

  • 1Ruđer Bošković Institute, Zagreb, Croatia.

概括

研究人员使用先进的模拟确定了CO/Ru (0001) 动态中的过渡前体状态. 这种前体状态涉及动态捕获的分子,揭示了化学反应机制的洞察力.

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