A QM/MM approach for low-symmetry defects in metals

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Authors: Liam Huber, Blazej Grabowski, Matthias Militzer, Jörg Neugebauer, Jörg Rottler

Journal title: Computational Materials Science

Journal number: 118

Journal publisher: Elsevier BV

Published year: 2016

Published pages: 259-268

DOI identifier: 10.1016/j.commatsci.2016.03.028

ISSN: 0927-0256