most citedDensity Functional Theory Meta-GGA+U Study of Water Incorporation in the Metal Organic Framework Material Cu-BTC

16 citations · 16 across the 1 of their papers we have counts for

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cond-mat.mtrl-sci2015★ 16 cited

Density Functional Theory Meta-GGA+U Study of Water Incorporation in the Metal Organic Framework Material Cu-BTC

Eric Cockayne, Eric B. Nelson

Water absorption in the metal-organic framework (MOF) material Cu-BTC, up to a concentration of 3.5 HO per Cu ion, is studied via density functional theory at the meta-GGA+U le…