TOUCAN
Towards an Understanding of Catalysis on Nanoalloys
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2014
Jack B. A. Davis, Roy L. Johnston, Leonid Rubinovich and Micha Polak, "Comparative modelling of chemical ordering in palladium-iridium nanoalloys",
J. Phys. Chem. A.
, 2014,
118
, 208-214.
Dmitri Schebarchov and David J. Wales, "Ni-based nanoalloys: Towards thermally stable highly magnetic materials",
Phys. Rev. Lett.
, 2014,
113
, 214302.
Dennis Palagin and Jonathan P. K. Doye, "Structure Prediction for Multicomponent Materials Using Biminima",
J. Chem. Phys
, 2014,
141
, 156102.
Jack B. A. Davis, Sarah L. Horswell, and Roy L. Johnston, "Global Optimsization of 8-10 Atom Palladium-Iridium Nanoalloys atthe DFT Level",
J. Chem. Phys
, 2014,
141
, 224307.
2013
Dmitri Schebarchov and David J. Wales, "Communication: A new paradigm for structure prediction in multicomponent systems",
J. Chem. Phys.
, 2013,
139
, 221101.