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Supplementary Information to "Linker-Cluster Cooperativity in Confinement of Proline- Functionalized Zr-Based Metal-Organic Frameworks and its Effect on the Organocatalytic Aldol Reaction"

, and . Dataset, (2025)Related to: Z. Dilruba, A.D. Yeganeh, S. Kolin, S. Noor, H. Shatla, C. Wieland, B.-H. Yu, K. Gugeler, A. Zens, J. Kästner, D. P. Estes, K. Pluhackova, S. Krause, S. Laschat. (2024). Linker-Cluster Cooperativity in Confinement of Proline-Functionalized Zr-Based Metal-Organic Frameworks and its Effect on the Organocatalytic Aldol Reaction. doi: 10.26434/chemrxiv-2024-47660.
DOI: 10.18419/darus-4834

Abstract

Files and structures for performing all-atom molecular dynamics simulations of UiO-67 and UiO-67-based structures filled with Methanol and reactant and product molecules.

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