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The structure of CaSO4 nanorods -- the precursor of gypsum
Tomasz M. Stawski, Alexander E. S. Van Driessche, Rogier Besselink +4
Understanding the gypsum (CaSO4.2H2O) formation pathway from aqueous solution has been the subject of intensive research in the past years. This interest stems from the fact that g…
Free energy of ligand removal in the metal-organic framework UiO-66
Jessica K. Bristow, Katrine L. Svane, Davide Tiana +3
We report an investigation of the "missing-linker phenomenon" in the Zr-based metal-organic framework UiO-66 using atomistic forcefield and quantum chemical methods. For a vacant b…
Calcium Carbonate Polyamorphism and Its Role in Biomineralization: How Many Amorphous Calcium Carbonates Are There?
Julyan H. E. Cartwright, Antonio G. Checa, Julian D. Gale +2
Although the polymorphism of calcium carbonate is well known, and its polymorphs-calcite, aragonite, and vaterite-have been highly studied in the context of biomineralization, poly…