Molecular Simulation of Water and Hydration Effects in Different Environments: Challenges and Developments for DFTB Based Models AU Goyal, P Qian, HJ Irle, S Lu, XY Roston, D Mori, T Elstner, M Cui, Q

TitleMolecular Simulation of Water and Hydration Effects in Different Environments: Challenges and Developments for DFTB Based Models AU Goyal, P Qian, HJ Irle, S Lu, XY Roston, D Mori, T Elstner, M Cui, Q
Publication TypeJournal Article
Year of Publication2014
AuthorsQian, HJ, Irle, S, Lu, XY, Roston, D, Mori, T, Elstner, M, Cui, Q
JournalJournal of Physical Chemistry B
Volume118
Pagination11007-11027
Date PublishedSep
ISBN Number1520-6106
Accession NumberWOS:000342396000001