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Simulating Highly Activated Sticking of H(2) on Al(110): Quantum versus Quasi-Classical Dynamics

[Image: see text] We evaluate the importance of quantum effects on the sticking of H(2) on Al(110) for conditions that are close to those of molecular beam experiments that have been done on this system. Calculations with the quasi-classical trajectory (QCT) method and with quantum dynamics (QD) are...

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Detalles Bibliográficos
Autores principales:	Tchakoua, Theophile, Powell, Andrew D., Gerrits, Nick, Somers, Mark F., Doblhoff-Dier, Katharina, Busnengo, Heriberto F., Kroes, Geert-Jan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2023
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10041643/ https://www.ncbi.nlm.nih.gov/pubmed/36998253 http://dx.doi.org/10.1021/acs.jpcc.3c00426

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