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Improvements of DRISM calculations: symmetry reduction and hybrid algorithms

Stefan Woelki1, Hans-Helmut Kohler, Hartmut Krienke

  • 1Institute of Analytical Chemistry, Chemo- and Biosensors, University of Regensburg, D-93040 Regensburg, Germany. stefan.woelki@chemie.uni-regensburg.de

Physical Chemistry Chemical Physics : PCCP
|January 31, 2008
PubMed

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