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

62 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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AU - Ganesh, P.

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