Supplementary Information to "Linker-Cluster Cooperativity in Confinement of Proline- Functionalized Zr-Based Metal-Organic Frameworks and its Effect on the Organocatalytic Aldol Reaction"
S. Kolin, and K. Pluhackova. 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.
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
%0 Generic
%1 kolin2025supplementary
%A Kolin, Sofia
%A Pluhackova, Kristyna
%D 2025
%K darus mult ubs_10018 ubs_10021 ubs_20019 ubs_20023 ubs_30165 ubs_30203 unibibliografie
%R 10.18419/darus-4834
%T Supplementary Information to "Linker-Cluster Cooperativity in Confinement of Proline- Functionalized Zr-Based Metal-Organic Frameworks and its Effect on the Organocatalytic Aldol Reaction"
%X 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.
@misc{kolin2025supplementary,
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. },
added-at = {2025-04-28T09:25:44.000+0200},
affiliation = {Kolin, Sofia/University of Stuttgart, Pluhackova, Kristyna/University of Stuttgart},
author = {Kolin, Sofia and Pluhackova, Kristyna},
biburl = {https://puma.ub.uni-stuttgart.de/bibtex/23e50a971ee00f67b6a199ee23c883734/unibiblio},
doi = {10.18419/darus-4834},
howpublished = {Dataset},
interhash = {83de40960d95d7f42786d390d5d1b88c},
intrahash = {3e50a971ee00f67b6a199ee23c883734},
keywords = {darus mult ubs_10018 ubs_10021 ubs_20019 ubs_20023 ubs_30165 ubs_30203 unibibliografie},
note = {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},
orcid-numbers = {Pluhackova, Kristyna/https://orcid.org/0000-0002-7498-6584},
timestamp = {2025-04-28T09:25:44.000+0200},
title = {Supplementary Information to "Linker-Cluster Cooperativity in Confinement of Proline- Functionalized Zr-Based Metal-Organic Frameworks and its Effect on the Organocatalytic Aldol Reaction"},
year = 2025
}