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PaperThe structure of the SiO2/Si(100) interface from a restraint-free search using computer simulationsDominik Fischer, Alessandro Curioni, et al.Applied Physics Letters
PaperKey Steps of the cis-Platin-DNA Interaction: Density Functional Theory-Based Molecular Dynamics SimulationsPaolo Carloni, Michiel Sprik, et al.Journal of Physical Chemistry B
