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Sep 14, 2021 - Molecular Simulation
Kraus, Hamzeh; Hansen, Niels, 2021, "Supplementary material for 'Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes'", https://doi.org/10.18419/darus-1752, DaRUS, V1
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files (directory Mdp) are provided for four simulations - a 2.5 nm pore with one catalyst molecule, a 2.5 nm pore with two catalyst...
Related Publication Citation: .; Nowakowski, Michal; Weißer, Kilian; Solodenko, Helena; Schmitz, Guido; Bauer, Matthias; Hansen, Niels; Buchmeiser, Michael R. (2021): Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes.
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Nov 30, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Ziegler, Felix; Benedikter, Mathis; Wang, Dongren, 2021, "Replication data of Buchmeiser group for: "Confinement Effects for Efficient Macrocyclization Reactions with supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/darus-2248, DaRUS, V1
All primary data files of measurements and processed data of the journal article mentioned under related publications from Buchmeiser group can be found here. The data is structured according to figures and schemes in the research article and contains the following data types: qp...
Related Publication Citation: Buchmeiser, Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes, ACS Catalysis 2021, 11, 18, 11570-11578.
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