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Self-Consistent-Charge Density-Functional Tight-Binding/MD Simulation of Transition Metal Catalyst Particle Melting and Carbide Formation
Okamoto, Yoshiko, Kawamura, Fuyuko, Ohta, Yasuhito, Page, Alister J., Irle, Stephan, Morokuma, KeijiVolume:
8
Année:
2011
Langue:
english
Pages:
9
DOI:
10.1166/jctn.2011.1879
Fichier:
PDF, 7.88 MB
english, 2011