Evaluation of Force Field Performance for High-Throughput Screening of Gas Uptake in Metal-Organic Frameworks

TitleEvaluation of Force Field Performance for High-Throughput Screening of Gas Uptake in Metal-Organic Frameworks
Publication TypeJournal Article
Year of Publication2015
AuthorsMcDaniel, JG, Li, S, Tylianakis, E, Snurr, RQ, Schmidt, JR
JournalJournal of Physical Chemistry C
Volume119
Pagination3143-3152
Date PublishedFeb
ISBN Number1932-7447
DOI10.1021/jp511674w