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1 to 10 of 169 Results

Supplementary Information to "Molecular determinants of solvent nanoseparation by nanoporous carbon materials" Feb 7, 2025 - SFB 1333 - Pluhackova Group, SimTech Kolin, Sofia; Marquardt, Moritz G.; Fläschner, Gotthold; Naumann, Stefan; Pluhackova, Kristyna, 2025, "Supplementary Information to "Molecular determinants of solvent nanoseparation by nanoporous carbon materials"", https://doi.org/10.18419/DARUS-4740, DaRUS, V2 Files and structures for performing and analysing coarse-grained molecular dynamics simulations of solvent diffusion through nanoporous carbon materials.
Replication Data for: "Structural Characterization of Surface Immobilized Platinum Hydrides by Sensitivity-Enhanced 195Pt Solid State NMR Spectroscopy and DFT Calculations" Dec 5, 2024 - SFB 1333 - Estes group, ITC Wimmer, Erik J., 2024, "Replication Data for: "Structural Characterization of Surface Immobilized Platinum Hydrides by Sensitivity-Enhanced 195Pt Solid State NMR Spectroscopy and DFT Calculations"", https://doi.org/10.18419/DARUS-4580, DaRUS, V1 All primary data files of measurements and processed data of the journal article mentioned under related publications from Estes 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 and contains the following data types: NMR (mest...
Supplementary Information to "Linker-Cluster Cooperativity in Confinement of Proline- Functionalized Zr-Based Metal-Organic Frameworks and its Effect on the Organocatalytic Aldol Reaction" Apr 23, 2025 - SFB 1333 - Pluhackova Group, SimTech Kolin, Sofia; Pluhackova, Kristyna, 2025, "Supplementary Information to "Linker-Cluster Cooperativity in Confinement of Proline- Functionalized Zr-Based Metal-Organic Frameworks and its Effect on the Organocatalytic Aldol Reaction"", https://doi.org/10.18419/DARUS-4834, DaRUS, V1 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.
Replication data of Estes group for: Reversible Oxidative Additions of Weak Acids to Pd(0) Complexes: "Effects on PdH Catalyzed Enyne Cycloisomerization" Nov 11, 2024 - SFB 1333 - Estes group, ITC Wimmer, Erik J., 2024, "Replication data of Estes group for: Reversible Oxidative Additions of Weak Acids to Pd(0) Complexes: "Effects on PdH Catalyzed Enyne Cycloisomerization"", https://doi.org/10.18419/DARUS-3786, DaRUS, V1 All primary data files of measurements and processed data of the journal article mentioned under related publications from Estes group can be found here. The data (mainly NMR data) is structured via the names of used acids and Pd catalysts discussed in the publication. Additionally, a script for kinetic data modelling is added. Data types: Bruker-N...
Publication data for: "Probing the Interactions of Immobilized Ruthenium Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on CO2 Hydrogenation" - data from Estes group Nov 22, 2024 - SFB 1333 - Estes group, ITC Nguyen, Hoang-Huy; Li, Zheng; Enenkel, Toni; Bauer, Matthias; Dyballa, Michael; Estes, Deven P., 2024, "Publication data for: "Probing the Interactions of Immobilized Ruthenium Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on CO2 Hydrogenation" - data from Estes group", https://doi.org/10.18419/DARUS-1654, DaRUS, V1 This file contains all the characterization and reactivity data for our publication given in the title. This includes all catalyst characterization data (NMR, IR, and XAS data) and reactivity data (NMR spectra and excel tables containing the results).
Replication data of Bruckner group for: "Predictive design of ordered mesoporous silica with well-defined, ultra-large mesopores" Jul 15, 2022 - SFB 1333 A4 - Bruckner group Vogler, Charlotte; Naumann, Stefan; Bruckner, Johanna R., 2022, "Replication data of Bruckner group for: "Predictive design of ordered mesoporous silica with well-defined, ultra-large mesopores"", https://doi.org/10.18419/DARUS-2374, DaRUS, V1 All primary data files of measurements and processed data (GPC, 1H-NMR, deconvoluted SAXS, nitrogen physisorption) of the associated journal article can be found here. The data is structured according to sample type, i.e. polymer or ordered mesoporous silica, experiment type and the specific sample investigated. It contains the following data types...
Data for: FAIR and scalable management of small-angle X-ray scattering data Jun 9, 2022 - SFB 1333 A4 - Bruckner group Giess, Torsten; Itzigehl, Selina; Range, Jan Peter; Bruckner, Johanna R.; Pleiss, Jürgen, 2022, "Data for: FAIR and scalable management of small-angle X-ray scattering data", https://doi.org/10.18419/DARUS-2842, DaRUS, V1 This dataset contains small-angle X-ray scattering (SAXS) measurements on various octyltrimethylammonium bromide (OTAB)/water and octyltrimethylammonium chloride (OTAC)/water mixtures at different mass fractions and temperatures, as well as analysis and visualization data thereof. The data and metadata are contained within an archive adhering to th...
Replication data of Gießelmann/Bruckner group for: "Mechanisms and Intermediates in the True Liquid Crystal Templating Synthesis of Mesoporous Silica Materials" May 5, 2021 - SFB 1333 A4 - 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 and contains the following data types: PDF, TXT, PDH, GIF, DS8D, GFRM...
Replication data for: "Comparative study of lattice parameter and pore size of ordered mesoporous silica materials using physisorption, SAXS measurements and transmission electron microscopy" Apr 26, 2023 - SFB 1333 A4 - Bruckner group Beurer, Ann-Katrin; Dieterich, Sonja; Solodenko, Helena; Kaya, Elif; Merdanoǧlu, Naǧme; Schmitz, Guido; Traa, Yvonne; Bruckner, Johanna R., 2023, "Replication data for: "Comparative study of lattice parameter and pore size of ordered mesoporous silica materials using physisorption, SAXS measurements and transmission electron microscopy"", https://doi.org/10.18419/DARUS-3348, DaRUS, V1 All primary data files of measurements and processed data of the journal article "Comparative study of lattice parameter and pore size of ordered mesoporous silica materials using physisorption, SAXS measurements and transmission electron microscopy", are deposited. File types which are not easily readable have been converted to other formats, i.e....
Data for: Olefin Metathesis under Spatial Confinement and Continuous Flow: Investigation of Isomeric Side Reactions with a Grubbs-Hoveyda Type Catalyst Dec 3, 2024 - SFB 1333 B2 - Tallarek group Böth, André; Roider, Thomas; Ziegler, Felix, 2024, "Data for: Olefin Metathesis under Spatial Confinement and Continuous Flow: Investigation of Isomeric Side Reactions with a Grubbs-Hoveyda Type Catalyst", https://doi.org/10.18419/DARUS-3784, DaRUS, V1 Olefin Metathesis under Spatial Confinement and Continuous Flow: We study olefin metathesis with a focus on isomers formed as by-products. For that purpose, a 2D-LC/MS system is implemented, showing decisive advantages over common 1H NMR analysis. As a consequence, it became possible to determine the influence of catalyst deactivation on both yield...

Supplementary Information to "Molecular determinants of solvent nanoseparation by nanoporous carbon materials"

Feb 7, 2025 - SFB 1333 - Pluhackova Group, SimTech

Kolin, Sofia; Marquardt, Moritz G.; Fläschner, Gotthold; Naumann, Stefan; Pluhackova, Kristyna, 2025, "Supplementary Information to "Molecular determinants of solvent nanoseparation by nanoporous carbon materials"", https://doi.org/10.18419/DARUS-4740, DaRUS, V2

Files and structures for performing and analysing coarse-grained molecular dynamics simulations of solvent diffusion through nanoporous carbon materials.

Replication Data for: "Structural Characterization of Surface Immobilized Platinum Hydrides by Sensitivity-Enhanced 195Pt Solid State NMR Spectroscopy and DFT Calculations"

Dec 5, 2024 - SFB 1333 - Estes group, ITC

Wimmer, Erik J., 2024, "Replication Data for: "Structural Characterization of Surface Immobilized Platinum Hydrides by Sensitivity-Enhanced 195Pt Solid State NMR Spectroscopy and DFT Calculations"", https://doi.org/10.18419/DARUS-4580, DaRUS, V1

All primary data files of measurements and processed data of the journal article mentioned under related publications from Estes 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 and contains the following data types: NMR (mest...

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

Apr 23, 2025 - SFB 1333 - Pluhackova Group, SimTech

Kolin, Sofia; Pluhackova, Kristyna, 2025, "Supplementary Information to "Linker-Cluster Cooperativity in Confinement of Proline- Functionalized Zr-Based Metal-Organic Frameworks and its Effect on the Organocatalytic Aldol Reaction"", https://doi.org/10.18419/DARUS-4834, DaRUS, V1

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.

Replication data of Estes group for: Reversible Oxidative Additions of Weak Acids to Pd(0) Complexes: "Effects on PdH Catalyzed Enyne Cycloisomerization"

Nov 11, 2024 - SFB 1333 - Estes group, ITC

Wimmer, Erik J., 2024, "Replication data of Estes group for: Reversible Oxidative Additions of Weak Acids to Pd(0) Complexes: "Effects on PdH Catalyzed Enyne Cycloisomerization"", https://doi.org/10.18419/DARUS-3786, DaRUS, V1

All primary data files of measurements and processed data of the journal article mentioned under related publications from Estes group can be found here. The data (mainly NMR data) is structured via the names of used acids and Pd catalysts discussed in the publication. Additionally, a script for kinetic data modelling is added. Data types: Bruker-N...

Publication data for: "Probing the Interactions of Immobilized Ruthenium Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on CO2 Hydrogenation" - data from Estes group

Nov 22, 2024 - SFB 1333 - Estes group, ITC

Nguyen, Hoang-Huy; Li, Zheng; Enenkel, Toni; Bauer, Matthias; Dyballa, Michael; Estes, Deven P., 2024, "Publication data for: "Probing the Interactions of Immobilized Ruthenium Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on CO2 Hydrogenation" - data from Estes group", https://doi.org/10.18419/DARUS-1654, DaRUS, V1

This file contains all the characterization and reactivity data for our publication given in the title. This includes all catalyst characterization data (NMR, IR, and XAS data) and reactivity data (NMR spectra and excel tables containing the results).

Replication data of Bruckner group for: "Predictive design of ordered mesoporous silica with well-defined, ultra-large mesopores"

Jul 15, 2022 - SFB 1333 A4 - Bruckner group

Vogler, Charlotte; Naumann, Stefan; Bruckner, Johanna R., 2022, "Replication data of Bruckner group for: "Predictive design of ordered mesoporous silica with well-defined, ultra-large mesopores"", https://doi.org/10.18419/DARUS-2374, DaRUS, V1

All primary data files of measurements and processed data (GPC, 1H-NMR, deconvoluted SAXS, nitrogen physisorption) of the associated journal article can be found here. The data is structured according to sample type, i.e. polymer or ordered mesoporous silica, experiment type and the specific sample investigated. It contains the following data types...

Data for: FAIR and scalable management of small-angle X-ray scattering data

Jun 9, 2022 - SFB 1333 A4 - Bruckner group

Giess, Torsten; Itzigehl, Selina; Range, Jan Peter; Bruckner, Johanna R.; Pleiss, Jürgen, 2022, "Data for: FAIR and scalable management of small-angle X-ray scattering data", https://doi.org/10.18419/DARUS-2842, DaRUS, V1

This dataset contains small-angle X-ray scattering (SAXS) measurements on various octyltrimethylammonium bromide (OTAB)/water and octyltrimethylammonium chloride (OTAC)/water mixtures at different mass fractions and temperatures, as well as analysis and visualization data thereof. The data and metadata are contained within an archive adhering to th...

Replication data of Gießelmann/Bruckner group for: "Mechanisms and Intermediates in the True Liquid Crystal Templating Synthesis of Mesoporous Silica Materials"

May 5, 2021 - SFB 1333 A4 - 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 and contains the following data types: PDF, TXT, PDH, GIF, DS8D, GFRM...

Replication data for: "Comparative study of lattice parameter and pore size of ordered mesoporous silica materials using physisorption, SAXS measurements and transmission electron microscopy"

Apr 26, 2023 - SFB 1333 A4 - Bruckner group

Beurer, Ann-Katrin; Dieterich, Sonja; Solodenko, Helena; Kaya, Elif; Merdanoǧlu, Naǧme; Schmitz, Guido; Traa, Yvonne; Bruckner, Johanna R., 2023, "Replication data for: "Comparative study of lattice parameter and pore size of ordered mesoporous silica materials using physisorption, SAXS measurements and transmission electron microscopy"", https://doi.org/10.18419/DARUS-3348, DaRUS, V1

All primary data files of measurements and processed data of the journal article "Comparative study of lattice parameter and pore size of ordered mesoporous silica materials using physisorption, SAXS measurements and transmission electron microscopy", are deposited. File types which are not easily readable have been converted to other formats, i.e....

Data for: Olefin Metathesis under Spatial Confinement and Continuous Flow: Investigation of Isomeric Side Reactions with a Grubbs-Hoveyda Type Catalyst

Dec 3, 2024 - SFB 1333 B2 - Tallarek group

Böth, André; Roider, Thomas; Ziegler, Felix, 2024, "Data for: Olefin Metathesis under Spatial Confinement and Continuous Flow: Investigation of Isomeric Side Reactions with a Grubbs-Hoveyda Type Catalyst", https://doi.org/10.18419/DARUS-3784, DaRUS, V1

Olefin Metathesis under Spatial Confinement and Continuous Flow: We study olefin metathesis with a focus on isomers formed as by-products. For that purpose, a 2D-LC/MS system is implemented, showing decisive advantages over common 1H NMR analysis. As a consequence, it became possible to determine the influence of catalyst deactivation on both yield...

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