Small-Molecule Adsorption in Open-Site Metal–Organic Frameworks: A Systematic Density Functional Theory Study for Rational Design

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

Research output: Contribution to journalArticlepeer-review

247 Scopus citations
Original languageEnglish (US)
Pages (from-to)668-678
Number of pages11
JournalChemistry of Materials
Issue number3
StatePublished - 2015

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