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Fluxionality of gold nanoparticles investigated by Born-Oppenheimer molecular dynamics
(2009)Physical Review BJournal Article -
Chiral recognition on catalytic surfaces
(2008)The Journal of Physical Chemistry CJournal Article -
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Modeling bulk and surface Pt using the “Gaussian and plane wave” density functional theory formalism
(2008)The Journal of Chemical PhysicsJournal Article