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Lehrstuhl für Materialsimulation

Lehrstuhl für Materialsimulation

Prof. Dr. Martin Müser

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A generalization of the charge equilibration method for non-metallic materials

R. A. Nistor, J. G. Polihronov, M. H. Müser, and N. J. Mosey,
A generalization of the charge equilibration method for non-metallic materials,
J. Chem. Phys. 125, 094108 (2006). (accepted version); (auxiliary electronic material).

Posted on November 21, 2006September 8, 2017Author Andres LangenbahnCategories PublicationsTags Force Field Development, Paper of the Year, Simulation Methods

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