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
JournalThe Journal of Physical Chemistry C
Volume119
Issue6
Pagination3143 - 3152
Date PublishedDec-02-2015
ISSN1932-7447
URLhttp://pubs.acs.org/doi/abs/10.1021/jp511674whttp://pubs.acs.org/doi/pdf/10.1021/jp511674w
DOI10.1021/jp511674w
Short TitleJ. Phys. Chem. C