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Is the error on first-principles volume predictions absolute or relative?
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- Journal Article
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Thermodynamic insight in the high-pressure behavior of UiO-66: effect of linker defects and linker expansion
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Minimal basis iterative stockholder : atoms in molecules for force-field development
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QuickFF: a program for a quick and easy derivation of force fields for metal-organic frameworks from ab initio input
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A comparison of barostats for the mechanical characterization of metal-organic frameworks