Parameterization of DFTB3/3OB for Sulfur and Phosphorus for Chemical and Biological Applications

TitleParameterization of DFTB3/3OB for Sulfur and Phosphorus for Chemical and Biological Applications
Publication TypeJournal Article
Year of Publication2014
AuthorsGaus, M, Lu, XY, Elstner, M, Cui, Q
JournalJournal of Chemical Theory and Computation
Volume10
Pagination1518-1537
Date PublishedApr
Type of ArticleArticle
ISBN Number1549-9618
Accession NumberWOS:000334571900016
DOI10.1021/ct401002w