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

doi:10.1039/C5TA03864B

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

Nanoporous Materials Genome Center

Research output: Contribution to journal › Article › peer-review

54 Scopus citations

Original language	English (US)
Pages (from-to)	22432-22440
Number of pages	9
Journal	Journal of Materials Chemistry A
Volume	3
Issue number	44
DOIs	https://doi.org/10.1039/C5TA03864B
State	Published - 2015

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10.1039/C5TA03864B

http://xlink.rsc.org/?DOI=C5TA03864B

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

author = "Dalar Nazarian and P. Ganesh and Sholl, {David S.}",

year = "2015",

doi = "10.1039/C5TA03864B",

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volume = "3",

pages = "22432--22440",

journal = "Journal of Materials Chemistry A",

issn = "2050-7488",

publisher = "Royal Society of Chemistry",

number = "44",

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T1 - Benchmarking density functional theory predictions of framework structures and properties in a chemically diverse test set of metal–organic frameworks

AU - Nazarian, Dalar

AU - Ganesh, P.

AU - Sholl, David S.

PY - 2015

Y1 - 2015

U2 - 10.1039/C5TA03864B

DO - 10.1039/C5TA03864B

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EP - 22440

JO - Journal of Materials Chemistry A

JF - Journal of Materials Chemistry A

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