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|Pascal TA, Schärf D, Jung Y, et al. (2012) On the absolute thermodynamics of water from computer simulations: a comparison of first-principles molecular dynamics, reactive and empirical force fields. The Journal of Chemical Physics. 137: 244507|
|Wehmeyer C, Falk von Rudorff G, Wolf S, et al. (2012) Foraging on the potential energy surface: a swarm intelligence-based optimizer for molecular geometry. The Journal of Chemical Physics. 137: 194110|
|Chadov S, Schärf D, Fecher GH, et al. (2010) Electronic structure, localization, and spin-state transition in Cu-substituted FeSe: Fe1-x Cux Se Physical Review B - Condensed Matter and Materials Physics. 81|