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      Computer Simulation of Binary Platinum–Cobalt Nanoclusters Interaction with Oxygen

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      Journal of Cluster Science
      Springer Nature

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          Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms

          We describe a global optimization technique using `basin-hopping' in which the potential energy surface is transformed into a collection of interpenetrating staircases. This method has been designed to exploit the features which recent work suggests must be present in an energy landscape for efficient relaxation to the global minimum. The transformation associates any point in configuration space with the local minimum obtained by a geometry optimization started from that point, effectively removing transition state regions from the problem. However, unlike other methods based upon hypersurface deformation, this transformation does not change the global minimum. The lowest known structures are located for all Lennard-Jones clusters up to 110 atoms, including a number that have never been found before in unbiased searches.
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            Oxygen Reduction Reaction on Pt and Pt Bimetallic Surfaces: A Selective Review

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              Accurate Density Functional for the Energy: Real-Space Cutoff of the Gradient Expansion for the Exchange Hole

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                Author and article information

                Journal
                Journal of Cluster Science
                J Clust Sci
                Springer Nature
                1040-7278
                1572-8862
                September 2011
                June 2011
                : 22
                : 3
                : 449-458
                Article
                10.1007/s10876-011-0393-3
                e91fa768-1962-4b81-ab3c-38452a71fb17
                © 2011
                History

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