Anharmonic Origin of Giant Thermal Displacements in the Metal-Organic Framework UiO-67

2017 · doi:10.26434/chemrxiv.5401951.v1
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⚙ AI-generated summary by claude@2026-07, 2026-07-15 ⓘ

Molecular dynamics simulations reveal that anharmonic torsions of the BPDC linker in UiO-67 and IRMOF-10 are the origin of their unusually large thermal displacements.

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Abstract

Molecular dynamics simulations investigating the torsion of the BPDC linker in UiO-67 and IRMOF-10.

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License: CC-BY-4.0