Fully Quantum Molecular Dynamics Simulations of Molecules on a Metal Surface: Part II
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Uploaded by icelcn on Mar 30, 2010
This movie shows a path integral molecular dynamics simulation for a mixture of water and hydroxyl molecules adsorbed on a Pt surface. The quantum nuclear effects are so pronounced that the traditional "ball and stick" representation of the nuclei is lost and it is difficult to distinguish which molecule is water and which is hydroxyl. To really understand why this movie is so exciting read more about it in Li et al., Physical Review Letters 104, 066102 (2010) or visit www.chem.ucl.ac.uk/ice
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