29 research outputs found
Using vibrational modes in the search for global minima of atomic and molecular clusters
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Acidity of uranyl(VI) hydrate studied with first-principles molecular dynamics simulations
No full textMechanism of water exchange in aqueous uranyl(VI) ion. A density functional molecular dynamics study
No full textAn Improved Genetic Algorithm for Global Optimization and Its Application to Sodium Chloride Clusters
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Effect of hydration on coordination properties of uranyl(VI) complexes. A first-principles molecular dynamics study
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Cluster-Computing and Computational Science mit der Wuppertaler Alpha-Linux-Cluster-Engine ALiCE
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