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All primary data files of published research from CRC 1333, e.g. from journal articles. All datasets will be made accessible to the general public by the end of the funding period 30. June 2022 unless you state in the "Description field" of the dataset - NOT FOR PUBLICATION
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1 to 10 of 69 Results
Oct 7, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Musso, Janis; Schowner, Roman; Frey, Wolfgang; Buchmeiser, Michael, 2021, "Replication data of Buchmeiser group for: "Cationic Tungsten Imido Alkylidene N-Heterocyclic Carbene Complexes That Contain Bulky Ligands"", https://doi.org/10.18419/darus-2176, DaRUS, V1
Neutral and cationic tungsten imido alkylidene complexes of the general formulas W(NtBu)(CHR1)(OR2)Cl(NHC),W(N-2,6-bis(2,4,6-tri-iPr-C6H4)phenyl)(CHR1)Cl2(NHC), [W(NtBu)(CHR1)(OR2)(NHC)][B(ArF)4] and [W(N-2,6-bis(2,4,6-tri-iPr-C6H4)phenyl)(CHR1)Cl(NHC)][B(ArF)4] (R 1 = CMe3, CMe2...
Sep 30, 2021 - SFB 1333 C1 - Dyballa group, ITC
Rieg, Carolin, 2021, "Publication data of C1 group for: Quantitative Distinction between Noble Metals Located in Mesopores from those on the external Surface", https://doi.org/10.18419/darus-2119, DaRUS, V1
All primary data files of measurements and processed data of the journal article mentioned under related publications from Dyballa group can be found here. Data from collaborating groups, especially the Kästner (C4) and the Schmitz group (C3), can be found in the same dataset. Th...
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...
Aug 11, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Groos, Jonas; Hauser, Philipp Manuel; Koy, Maximilian; Frey, Wolfgang; Buchmeiser, Michael, 2021, "Publication data for: "Highly Reactive Cationic Molybdenum Alkylidyne N‑Heterocyclic Carbene Catalysts for Alkyne Metathesis"", https://doi.org/10.18419/darus-1811, DaRUS, V1
All primary data files of measurements and processed data of the journal article from Buchmeiser group can be found here. Procedures, reaction conditions and used analytical equipment is discussed in detail in the experimental section or the supporting information of the paper. P...
Jul 12, 2021 - Institute of Thermodynamics and Thermal Process Engineering
Kessler, Christopher; Eller, Johannes; Gross, Joachim; Hansen, Niels, 2021, "Supplementary material for 'Adsorption of Light Gases in Covalent Organic Frameworks: Comparison of Classical Density Functional Theory and Grand Canonical Monte Carlo Simulations'", https://doi.org/10.18419/darus-1775, DaRUS, V1, UNF:6:kTnkyWKU1qxxwfkXXMvp8w== [fileUNF]
This dataset contains results from classical Density Functional Theory (DFT) and Grand Canonical Monte Carlo (GCMC) Simulation. We report excellent agreement between the fluid theoretical approach (DFT), which is a more coarse grained approach and stochastic simulation (GCMC) on...
Jul 5, 2021 - SFB 1333 C2 - Ringenberg group, IAC
Schnierle, Marc; Leimkühler, Marie; Ringenberg, Mark, 2021, "Data for [(.eta.6-Cymene)(3-(pyrid-2-yl)-1,2,4,5-tetrazine)chlororuthenium(II)]+, Redox Noninnocence and Dienophile Addition to Coordinated Tetrazine", https://doi.org/10.18419/darus-1181, DaRUS, V1
The bidentate ligand 3-(pyrid-2-yl)-1,2,4,5-tetrazines (TzPy) coordinates in the complex [CyRuCl(TzPy)]PF6 [1]+ (Cy =.eta.6-p-cymene). The DFT data, NMR, Kinetics, electrochemical and spectroelectrochemistry data are provided.
May 5, 2021 - SFB 1333 A4 - Gießelmann/Bruckner group
Bruckner, Johanna R.; Beurer, Ann-Katrin, 2021, "Replication data of Gießelmann/Bruckner group for: "Mechanisms and Intermediates in the True Liquid Crystal Templating Synthesis of Mesoporous Silica Materials"", https://doi.org/10.18419/darus-1826, DaRUS, V1
All primary data files of measurements and processed data of the associated journal article can be found here. Raw data from physisorption measurements can be found in the dataset of the Traa group. The data is structured according to experiment type and the material investigated...
May 5, 2021 - SFB 1333 A2 - Ludwigs group, IPOC-FP
Neußer, David, 2021, "Data for: "High Conductivities of Disordered P3HT Films by an Electrochemical Doping Strategy"", https://doi.org/10.18419/darus-1409, DaRUS, V1, UNF:6:q/isvz1SmOf715MXo/el9Q== [fileUNF]
The related publication to this dataset presents an electrochemical doping strategy for obtaining high solid-state conductivities of P3HT films. Conductivities are measured via 4-line probe and charged species are identified by in-situ and solid-state UV-vis-NIR and EPR spectrosc...
May 5, 2021 - SFB 1333 A2 - Ludwigs group, IPOC-FP
Malacrida, Claudia, 2021, "Data for: "Towards Highly Conducting Bicarbazole Redoxpolymer Films with Plateau-like Conductivities"", https://doi.org/10.18419/darus-1418, DaRUS, V1, UNF:6:Ebm2wQEvxBy8vaBQ9pPnuQ== [fileUNF]
The dataset for this publication explains conductivity dependency on doping levels achieved by chemical or electrochemical doping on crosslinkable Carbazole or Triarylamine units presenting Structure Property Relationships. Conductivities are measured via 4-point probe and electr...
May 5, 2021 - SFB 1333 A4 - Traa group, ITC
Beurer, Ann-Katrin; Kirchhof, Manuel; Bruckner, Johanna R.; Dyballa, Michael, 2021, "Replication Data for: "Efficient and Spatially Controlled Functionalization of SBA-15 and Initial Results in Asymmetric Rh-Catalyzed 1,2-Additions under Confinement"", https://doi.org/10.18419/darus-1774, DaRUS, V1
The manuscript describes a method, which ensures a selective functionalization of the mesopore surface with a clickable linker and thus makes it possible to study confinement effects during catalyzed reactions. First, the silanol groups on the particle surface and in the pore ent...
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