Small-molecule adsorption in open-site metal--organic frameworks: a systematic density functional theory study for rational design

Kyuho Lee, Joshua Howe, Li-Chiang Lin, Berend Smit, Jeffrey B Neaton

Research output: Contribution to journalArticlepeer-review

Original languageEnglish
Pages (from-to)668--678
JournalChemistry of Materials
StatePublished - 2015

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