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1 papers
Borges D.D., Devautour-Vinot S., Jobic H. et al. · Angewandte Chemie - International Edition · 2016
Reported here: Fully hydrated UiO-66(Zr)-(CO2H)2 aMS-EVB3 model
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| Fully hydrated UiO-66(Zr)-(CO2H)2 aMS-EVB3 model2016 · Proton Transport in a Highly Conductive Porous Zirconium-Based Metal-Organic Framework: Molecular Insight | One cubic unit cell of UiO-66(Zr)-(CO2H)2 with 80 H2O per unit cell and one excess protonZr6 oxo-hydroxo clusters in flexible-force-field model · 1,2,4,5-benzenetetracarboxylate with free CO2H groups | 3D · Model SystemComputational model of fully hydrated UiO-66(Zr)-(CO2H)2 | 5 · Experimental Section |