Parametrization of DFTB3/3OB for Magnesium and Zinc for Chemical and Biological Applications

TitleParametrization of DFTB3/3OB for Magnesium and Zinc for Chemical and Biological Applications
Publication TypeJournal Article
Year of Publication2015
AuthorsLu, XY, Gaus, M, Elstner, M, Choi, KS
JournalJournal of Physical Chemistry B
Volume119
Pagination1062-1082
Date PublishedJan
ISBN Number1520-6106
DOI10.1021/jp506557r