Benchmarking density functional theory predictions of framework structures and properties in a chemically diverse test set of metal–organic frameworks

Dalar Nazarian, P. Ganesh, David S. Sholl

Research output: Contribution to journalArticlepeer-review

54 Scopus citations
Original languageEnglish (US)
Pages (from-to)22432-22440
Number of pages9
JournalJournal of Materials Chemistry A
Issue number44
StatePublished - 2015

Cite this