A critical evaluation of different QM/MM frontier treatments with SCC-DFTB as the QM method [Review]

TitleA critical evaluation of different QM/MM frontier treatments with SCC-DFTB as the QM method [Review]
Publication TypeJournal Article
Year of Publication2005
AuthorsKonig, PH, Hoffmann, M, Frauenheim, T, Cui, Q
JournalJournal of Physical Chemistry B
Volume109
Pagination9082-9095
Date PublishedMay 12
Accession Number924MM-0092