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Periodic boundary versus quantum cluster approaches in the simulation of a nanoenergetic metallic model-system: Ni/Al(1 1 1) surface reactions
M. Petrantoni, A. Hemeryck, J.-M. Ducéré, A. Estève, C. Rossi, M. Djafari Rouhani, D. Estève, G. LandaVolume:
71
Year:
2010
Language:
english
Pages:
4
DOI:
10.1016/j.jpcs.2009.08.010
File:
PDF, 556 KB
english, 2010