Application of the computationally efficient self-consistent-charge density-functional tight-binding method to magnesium-containing molecules

TitleApplication of the computationally efficient self-consistent-charge density-functional tight-binding method to magnesium-containing molecules
Publication TypeJournal Article
Year of Publication2007
AuthorsCai, Z-L, Lopez, P, Reimers, JR, Cui, Q, Elstner, M
JournalJournal of Physical Chemistry A
Volume111
Pagination5743-5750
Date PublishedJul
Accession NumberISI:000247573600019