SFB 1333 "Molecular heterogeneous catalysis in confined geometries"

All primary data files of published research from CRC 1333, e.g. from journal articles.

SFB 1333 INF - Pleiss, Hansen, Endo

SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

SFB 1333 C1 - Dyballa group, ITC

SFB 1333 C5 - Groß/ Hansen group, ITT

SFB 1333 C4 - Kästner group, ITheoC

SFB 1333 A4 - Traa group, ITC

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1 to 10 of 189 Results

Publication data for: "Mesoporous Confinement Enables Activity Boost in Cooperative Asymmetric Catalysis in Analogy to Enzymes" Apr 23, 2026 - SFB 1333 B6 - Peters group, IOC Rautenbach, Liam; Nandeshwar, Muneshwar; Goldstein, Elizabeth; Högler, Marc; Häussler, Max; Allgaier, Alexander; Bauer, Alina; Hornung, Dominik; Beck, Alexander; Franke, Claudia; Osterbrink, Johanna; Bruckner, Johanna R.; Kästner, Johannes; Fischer, Felix Richard; Bauer, Matthias; van Slageren, Joris; Pleiss, Jürgen; Hansen, Niels; Buchmeiser, Michael; Peters, René, 2026, "Publication data for: "Mesoporous Confinement Enables Activity Boost in Cooperative Asymmetric Catalysis in Analogy to Enzymes"", https://doi.org/10.18419/DARUS-5388, DaRUS, V1, UNF:6:fOaEHbvASi6oGtKoZINPgA== [fileUNF] This dataset contains research data for the publication "Mesoporous Confinement Enables Activity Boost in Cooperative Asymmetric Catalysis in Analogy to Enzymes". Content: 1) Experimental Catalysis, Material Characterization, and Spectroscopy Data 2) Kinetics and Kinetic Modeling Data 3) Molecular Dynamics (MD) Simulations Data 1) Experimental Cata...
Supplementary material to 'Machine Learning Prediction of Henry Coefficients of Polar and Nonpolar Gases in Covalent Organic Frameworks: Effects of Interlayer Shifts and Functionalization' Apr 7, 2026 - Institute of Thermodynamics and Thermal Process Engineering Nurhuda, Maryam; Teh, Tiong Wei; Packwood, Daniel; Hansen, Niels, 2026, "Supplementary material to 'Machine Learning Prediction of Henry Coefficients of Polar and Nonpolar Gases in Covalent Organic Frameworks: Effects of Interlayer Shifts and Functionalization'", https://doi.org/10.18419/DARUS-5781, DaRUS, V1, UNF:6:VGCNG6AIwbpDFjn2nWVA4w== [fileUNF] Electronic supplementary materials for the publication stated below. Henry coefficients are calculated by Widom insertion (in RASPA 2.0.47). Contents: - Henry coefficients (CSV) - CoRE-COF original, slipped, and functionalized files (CIF) - RASPA input files.
Replication Data for: "Palladium Hydride Catalysts Confined in Silica Mesopores: Effects on Catalytic Enyne Cyclization" Apr 2, 2026 - SFB 1333 C5 - Groß/ Hansen group, ITT Wimmer, Erik Jasper; Högler, Marc, 2026, "Replication Data for: "Palladium Hydride Catalysts Confined in Silica Mesopores: Effects on Catalytic Enyne Cyclization"", https://doi.org/10.18419/DARUS-5129, DaRUS, V1, UNF:6:PRcvl3sxtPpN96tzjitc4Q== [fileUNF] All primary data files of measurement and processed data of the journal article mentioned under related publications from Estes group and Hansen group can be found here. The data ist structured according to the material names and chapters with the following data types: NMR (Bruker, .mnova), Adsorption data (.pdf), TEM (.TIF), MD simulations
Replication data of A8 group for: "Development of a Copper-Free Click Reaction for Asymmetric Rh Diene Catalysis Under Confinement" Mar 11, 2026 - SFB 1333 B3 - Laschat group, IOC Kirchhof, Manuel; Krause, Sanja; Beurer, Ann-Katrin; Nguyen, Hoang-Huy; Frey, Wolfgang, 2026, "Replication data of A8 group for: "Development of a Copper-Free Click Reaction for Asymmetric Rh Diene Catalysis Under Confinement"", https://doi.org/10.18419/DARUS-5530, DaRUS, V1 All primary data files of measurements and processed data of the journal article mentioned under related publications from Laschat group can be found here. Data from collaborating groups can be found in a seperate data set. The data is structured according to figures and schemes in the research article.
Supplementary material for "Ethylene Oligomerization Under Confinement Using Supported Cr(II) and Cr(III) Catalysts" Mar 9, 2026 - Institute of Thermodynamics and Thermal Process Engineering Högler, Marc; Hansen, Niels, 2026, "Supplementary material for "Ethylene Oligomerization Under Confinement Using Supported Cr(II) and Cr(III) Catalysts"", https://doi.org/10.18419/DARUS-5511, DaRUS, V1 This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files (directory mdp). Also Jupyter notebooks to load and display the results are uploaded.
Publication data for: "Tunable Endo/Exo Selectivity in Direct Catalytic Asymmetric 1,3-Dipolar Cycloadditions with Polyfunctional Lewis Acid / Azolium-Aryloxide Catalysts" Mar 9, 2026 - SFB 1333 B6 - Peters group, IOC Bürstner, Adrian; Becker, Patrick M.; Allgaier, Alexander; Pfitzer, Lucca; Wanner, Daniel M.; Dollinger, Johanna; Willig, Felix; Herrmann, Justin; Miskov-Pajic, Vukoslava; Hans, Andreas C.; Frey, Wolfgang; van Slageren, Joris; Kästner, Johannes; Peters, René, 2026, "Publication data for: "Tunable Endo/Exo Selectivity in Direct Catalytic Asymmetric 1,3-Dipolar Cycloadditions with Polyfunctional Lewis Acid / Azolium-Aryloxide Catalysts"", https://doi.org/10.18419/DARUS-5732, DaRUS, V1 This dataset contains research data for the publication "Tunable Endo/Exo Selectivity in Direct Catalytic Asymmetric 1,3-Dipolar Cycloadditions with Polyfunctional Lewis Acid / Azolium-Aryloxide Catalysts". Data type and creation: The dataset comprises experimental data focused on the magnetic and electronic characterization of the paramagnetic tra...
Data for: Influence of the supported ionic-liquid layer thickness on Z-selectivity in 1-alkyne hydrosilylation under continuous flow Mar 5, 2026 - SFB 1333 B2 - Tallarek group Böth, André; Kaltwasser, Florian; Priedigkeit, Christian; Atwi, Boshra; Frey, Wolfgang; Buchmeiser, Michael; Tallarek, Ulrich, 2026, "Data for: Influence of the supported ionic-liquid layer thickness on Z-selectivity in 1-alkyne hydrosilylation under continuous flow", https://doi.org/10.18419/DARUS-5564, DaRUS, V1 Raw Data and processed data of the publication Influence of the supported ionic-liquid layer thickness on Z-selectivity in 1-alkyne hydrosilylation under continuous flow. The text and Excel files contain the peak areas for the respective isomers and SILP thicknesses. The data was generated by a diode-array detector (DAD) and was automatically store...
Data for "Mesoionic N-Heterocyclic Olefins as Initiators for the Lewis Pair Polymerization of Epoxides" Mar 2, 2026 - SFB 1333 - Naumann group, Uni Freiburg Haug, Iris; Reitz, Justus; Ziane, Celia; Buchmeiser, Michael; Hansmann, Max; Naumann, Stefan, 2026, "Data for "Mesoionic N-Heterocyclic Olefins as Initiators for the Lewis Pair Polymerization of Epoxides"", https://doi.org/10.18419/DARUS-5756, DaRUS, V1 This dataset is structured according to Tables (and specifc table entries) and Figures in the research article and the Supporting Information. It contains NMR raw data as well as relevant GPC raw data (the latter in the form of exported .txt files). Also, NMR raw data for the mNHO initiators/catalysts is provided (Hansmann Group).
Replication Data for: Tuning Regioselectivity in Cyclopolymerization through Carbene Ligand Size Modulation in Molybdenum Imido Alkylidene Catalysts Mar 2, 2026 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Kundu, Koushani; Probst, Patrick; Buchmeiser, Michael, 2026, "Replication Data for: Tuning Regioselectivity in Cyclopolymerization through Carbene Ligand Size Modulation in Molybdenum Imido Alkylidene Catalysts", https://doi.org/10.18419/DARUS-5752, DaRUS, V1 All primary data files of measurements and processed data from the journal article mentioned under 'Related Publications' from the Buchmeiser group can be found here. The data set contains the NMR spectra of novel catalysts and polymers. The single-crystal X-ray structure of the novel catalyst is also available. Data from collaborating groups (comp...
Data for: Feed injection in liquid chromatography: Reducing the effect of large-volume injections from purely organic diluents in reversed-phase liquid chromatography Mar 2, 2026 - SFB 1333 B2 - Tallarek group Böth, André; Foshag, Daniel; Schulz, Charlotte; Atwi, Boshra; Maier, Sarah Eleonore; Estes, Deven P.; Buchmeiser, Michael; van de Goor, Tom; Tallarek, Ulrich, 2026, "Data for: Feed injection in liquid chromatography: Reducing the effect of large-volume injections from purely organic diluents in reversed-phase liquid chromatography", https://doi.org/10.18419/DARUS-4422, DaRUS, V1 Primary data files and processed data of the journal article from the Tallarek Group. Data was generated by a diode-array detector (DAD). The recorded peaks were evaluated using total numerical integration to determine their first and second statistical moments, corresponding to the center of mass and variance. The reported plate heights (H) repres...

Publication data for: "Mesoporous Confinement Enables Activity Boost in Cooperative Asymmetric Catalysis in Analogy to Enzymes"

Apr 23, 2026 - SFB 1333 B6 - Peters group, IOC

Rautenbach, Liam; Nandeshwar, Muneshwar; Goldstein, Elizabeth; Högler, Marc; Häussler, Max; Allgaier, Alexander; Bauer, Alina; Hornung, Dominik; Beck, Alexander; Franke, Claudia; Osterbrink, Johanna; Bruckner, Johanna R.; Kästner, Johannes; Fischer, Felix Richard; Bauer, Matthias; van Slageren, Joris; Pleiss, Jürgen; Hansen, Niels; Buchmeiser, Michael; Peters, René, 2026, "Publication data for: "Mesoporous Confinement Enables Activity Boost in Cooperative Asymmetric Catalysis in Analogy to Enzymes"", https://doi.org/10.18419/DARUS-5388, DaRUS, V1, UNF:6:fOaEHbvASi6oGtKoZINPgA== [fileUNF]

This dataset contains research data for the publication "Mesoporous Confinement Enables Activity Boost in Cooperative Asymmetric Catalysis in Analogy to Enzymes". Content: 1) Experimental Catalysis, Material Characterization, and Spectroscopy Data 2) Kinetics and Kinetic Modeling Data 3) Molecular Dynamics (MD) Simulations Data 1) Experimental Cata...

Supplementary material to 'Machine Learning Prediction of Henry Coefficients of Polar and Nonpolar Gases in Covalent Organic Frameworks: Effects of Interlayer Shifts and Functionalization'

Apr 7, 2026 - Institute of Thermodynamics and Thermal Process Engineering

Nurhuda, Maryam; Teh, Tiong Wei; Packwood, Daniel; Hansen, Niels, 2026, "Supplementary material to 'Machine Learning Prediction of Henry Coefficients of Polar and Nonpolar Gases in Covalent Organic Frameworks: Effects of Interlayer Shifts and Functionalization'", https://doi.org/10.18419/DARUS-5781, DaRUS, V1, UNF:6:VGCNG6AIwbpDFjn2nWVA4w== [fileUNF]

Electronic supplementary materials for the publication stated below. Henry coefficients are calculated by Widom insertion (in RASPA 2.0.47). Contents: - Henry coefficients (CSV) - CoRE-COF original, slipped, and functionalized files (CIF) - RASPA input files.

Replication Data for: "Palladium Hydride Catalysts Confined in Silica Mesopores: Effects on Catalytic Enyne Cyclization"

Apr 2, 2026 - SFB 1333 C5 - Groß/ Hansen group, ITT

Wimmer, Erik Jasper; Högler, Marc, 2026, "Replication Data for: "Palladium Hydride Catalysts Confined in Silica Mesopores: Effects on Catalytic Enyne Cyclization"", https://doi.org/10.18419/DARUS-5129, DaRUS, V1, UNF:6:PRcvl3sxtPpN96tzjitc4Q== [fileUNF]

All primary data files of measurement and processed data of the journal article mentioned under related publications from Estes group and Hansen group can be found here. The data ist structured according to the material names and chapters with the following data types: NMR (Bruker, .mnova), Adsorption data (.pdf), TEM (.TIF), MD simulations

Replication data of A8 group for: "Development of a Copper-Free Click Reaction for Asymmetric Rh Diene Catalysis Under Confinement"

Mar 11, 2026 - SFB 1333 B3 - Laschat group, IOC

Kirchhof, Manuel; Krause, Sanja; Beurer, Ann-Katrin; Nguyen, Hoang-Huy; Frey, Wolfgang, 2026, "Replication data of A8 group for: "Development of a Copper-Free Click Reaction for Asymmetric Rh Diene Catalysis Under Confinement"", https://doi.org/10.18419/DARUS-5530, DaRUS, V1

All primary data files of measurements and processed data of the journal article mentioned under related publications from Laschat group can be found here. Data from collaborating groups can be found in a seperate data set. The data is structured according to figures and schemes in the research article.

Supplementary material for "Ethylene Oligomerization Under Confinement Using Supported Cr(II) and Cr(III) Catalysts"

Mar 9, 2026 - Institute of Thermodynamics and Thermal Process Engineering

Högler, Marc; Hansen, Niels, 2026, "Supplementary material for "Ethylene Oligomerization Under Confinement Using Supported Cr(II) and Cr(III) Catalysts"", https://doi.org/10.18419/DARUS-5511, DaRUS, V1

This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files (directory mdp). Also Jupyter notebooks to load and display the results are uploaded.

Publication data for: "Tunable Endo/Exo Selectivity in Direct Catalytic Asymmetric 1,3-Dipolar Cycloadditions with Polyfunctional Lewis Acid / Azolium-Aryloxide Catalysts"

Mar 9, 2026 - SFB 1333 B6 - Peters group, IOC

Bürstner, Adrian; Becker, Patrick M.; Allgaier, Alexander; Pfitzer, Lucca; Wanner, Daniel M.; Dollinger, Johanna; Willig, Felix; Herrmann, Justin; Miskov-Pajic, Vukoslava; Hans, Andreas C.; Frey, Wolfgang; van Slageren, Joris; Kästner, Johannes; Peters, René, 2026, "Publication data for: "Tunable Endo/Exo Selectivity in Direct Catalytic Asymmetric 1,3-Dipolar Cycloadditions with Polyfunctional Lewis Acid / Azolium-Aryloxide Catalysts"", https://doi.org/10.18419/DARUS-5732, DaRUS, V1

This dataset contains research data for the publication "Tunable Endo/Exo Selectivity in Direct Catalytic Asymmetric 1,3-Dipolar Cycloadditions with Polyfunctional Lewis Acid / Azolium-Aryloxide Catalysts". Data type and creation: The dataset comprises experimental data focused on the magnetic and electronic characterization of the paramagnetic tra...

Data for: Influence of the supported ionic-liquid layer thickness on Z-selectivity in 1-alkyne hydrosilylation under continuous flow

Mar 5, 2026 - SFB 1333 B2 - Tallarek group

Böth, André; Kaltwasser, Florian; Priedigkeit, Christian; Atwi, Boshra; Frey, Wolfgang; Buchmeiser, Michael; Tallarek, Ulrich, 2026, "Data for: Influence of the supported ionic-liquid layer thickness on Z-selectivity in 1-alkyne hydrosilylation under continuous flow", https://doi.org/10.18419/DARUS-5564, DaRUS, V1

Raw Data and processed data of the publication Influence of the supported ionic-liquid layer thickness on Z-selectivity in 1-alkyne hydrosilylation under continuous flow. The text and Excel files contain the peak areas for the respective isomers and SILP thicknesses. The data was generated by a diode-array detector (DAD) and was automatically store...

Data for "Mesoionic N-Heterocyclic Olefins as Initiators for the Lewis Pair Polymerization of Epoxides"

Mar 2, 2026 - SFB 1333 - Naumann group, Uni Freiburg

Haug, Iris; Reitz, Justus; Ziane, Celia; Buchmeiser, Michael; Hansmann, Max; Naumann, Stefan, 2026, "Data for "Mesoionic N-Heterocyclic Olefins as Initiators for the Lewis Pair Polymerization of Epoxides"", https://doi.org/10.18419/DARUS-5756, DaRUS, V1

This dataset is structured according to Tables (and specifc table entries) and Figures in the research article and the Supporting Information. It contains NMR raw data as well as relevant GPC raw data (the latter in the form of exported .txt files). Also, NMR raw data for the mNHO initiators/catalysts is provided (Hansmann Group).

Replication Data for: Tuning Regioselectivity in Cyclopolymerization through Carbene Ligand Size Modulation in Molybdenum Imido Alkylidene Catalysts

Mar 2, 2026 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Kundu, Koushani; Probst, Patrick; Buchmeiser, Michael, 2026, "Replication Data for: Tuning Regioselectivity in Cyclopolymerization through Carbene Ligand Size Modulation in Molybdenum Imido Alkylidene Catalysts", https://doi.org/10.18419/DARUS-5752, DaRUS, V1

All primary data files of measurements and processed data from the journal article mentioned under 'Related Publications' from the Buchmeiser group can be found here. The data set contains the NMR spectra of novel catalysts and polymers. The single-crystal X-ray structure of the novel catalyst is also available. Data from collaborating groups (comp...

Data for: Feed injection in liquid chromatography: Reducing the effect of large-volume injections from purely organic diluents in reversed-phase liquid chromatography

Mar 2, 2026 - SFB 1333 B2 - Tallarek group

Böth, André; Foshag, Daniel; Schulz, Charlotte; Atwi, Boshra; Maier, Sarah Eleonore; Estes, Deven P.; Buchmeiser, Michael; van de Goor, Tom; Tallarek, Ulrich, 2026, "Data for: Feed injection in liquid chromatography: Reducing the effect of large-volume injections from purely organic diluents in reversed-phase liquid chromatography", https://doi.org/10.18419/DARUS-4422, DaRUS, V1

Primary data files and processed data of the journal article from the Tallarek Group. Data was generated by a diode-array detector (DAD). The recorded peaks were evaluated using total numerical integration to determine their first and second statistical moments, corresponding to the center of mass and variance. The reported plate heights (H) repres...

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