SFB 1333 "Molecular heterogeneous catalysis in confined geometries"

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Data Generation: Analysis

1 to 10 of 35 Results

Replication data of B3 group for: "Tethering chiral Rh diene complexes inside mesoporous solids: experimental and theoretical study of substituent, pore and linker effects on asymmetric catalysis" Apr 9, 2024 - SFB 1333 B3 - Laschat group, IOC Kirchhof, Manuel, 2024, "Replication data of B3 group for: "Tethering chiral Rh diene complexes inside mesoporous solids: experimental and theoretical study of substituent, pore and linker effects on asymmetric catalysis"", https://doi.org/10.18419/darus-3547, DaRUS, V1, UNF:6:N+XAY3GC5dJdwFA2n/4lEA== [fileUNF] In this dataset HPLC (high performance liquid chromatography) chromatograms of the products of the rhodium-catalyzed 1,2-addition and NMR (nuclear magnetic resonance) spectra of all prepared ligands, catalysts and catalysis products (NMR) are included. Furthermore, the excel shee...
Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement" Dec 22, 2023 - SFB 1333 C6 - Holm group, ICP Tischler, Ingo; Schlaich, Alexander; Holm, Christian, 2023, "Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement"", https://doi.org/10.18419/darus-3642, DaRUS, V1 The simulation scripts and the simulation data of the journal article mentioned under related publications from C6 group can be found here. The data is structured according to figures and schemes in the research article and contains the following data types: compressed (tar) text...
Replication data of the Buchmeiser group for: "Molybdenum Alkylidyne Silyloxy N-Heterocyclic Carbene Complexes - Highly Active Alkyne Metathesis Catalysts that can be Handled in Air" Oct 24, 2023 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Musso, Janis; Gramm, Vincent; Stein, Sarjano; Frey, Wolfgang; Buchmeiser, Michael, 2023, "Replication data of the Buchmeiser group for: "Molybdenum Alkylidyne Silyloxy N-Heterocyclic Carbene Complexes - Highly Active Alkyne Metathesis Catalysts that can be Handled in Air"", https://doi.org/10.18419/darus-3267, DaRUS, V1 All primary data files of measurements and processed data of the journal article mentioned under related publications from the Buchmeiser group can be found here. The data consist of: Processed (mestrenova) and unprocessed (fid-files) NMR spectra of novel compunds NMR spectra f...
Replication Data for: Solvent Effects on Structure and Screening in Confined Electrolytes Oct 19, 2023 - SFB 1333 A3 - Schlaich group, ICP Yang, Jie; Kondrat, Svyatoslav; Lian, Cheng; Liu, Honglai; Schlaich, Alexander; Holm, Christian, 2023, "Replication Data for: Solvent Effects on Structure and Screening in Confined Electrolytes", https://doi.org/10.18419/darus-3743, DaRUS, V1, UNF:6:KtlgApor9/WXUtTKp63TBw== [fileUNF] This is the repository holding the data and python scripts we used for creating the corresponding figures in the publication. Tabular files include the ion and solvent (for solvent-explicit simulations) densiies for a hard-sphere primitive electrolyte model confined between two c...
Replication Data for: Hydrosilylation of Alkynes Under Continuous Flow Using Polyurethane-Based Monolithic Supports with Tailored Mesoporosity Oct 12, 2023 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Acikalin, Hande; Panyam, Pradeep Kumar Reddy; Shaikh, Wasif; Wang, Dongren; Kousik, Shravan R.; Atanasova, Petia; Buchmeiser, Michael, 2023, "Replication Data for: Hydrosilylation of Alkynes Under Continuous Flow Using Polyurethane-Based Monolithic Supports with Tailored Mesoporosity", https://doi.org/10.18419/darus-3733, DaRUS, V1 All primary data files related to the publication. Procedures, recation conditions and used analytical equipment is discussed in detail in the experimental section or the supporting information of the paper. Novel complexes were examined via nuclear magnetic resonance (NMR) spect...
Replication data of Buchmeiser group for: "Ligand Variations in Neutral and Cationic Molybdenum Alkylidyne NHC Catalysts" Oct 4, 2023 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Groos, Jonas; Koy, Maximilian; Musso, Janis; Neuwirt, Michael; Pham, Thao; Hauser, Philipp Manuel; Frey, Wolfgang; Buchmeiser, Michael, 2023, "Replication data of Buchmeiser group for: "Ligand Variations in Neutral and Cationic Molybdenum Alkylidyne NHC Catalysts"", https://doi.org/10.18419/darus-3701, DaRUS, V1 All primary data files related to the publication. Procedures, recation conditions and used analytical equipment is discussed in detail in the experimental section or the supporting information of the paper. Novel complexes were examined via nuclear magnetic resonance (NMR) spect...
Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Sep 21, 2023 - Molecular Simulation Kraus, Hamzeh; Högler, Marc; Hansen, Niels, 2023, "Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'", https://doi.org/10.18419/darus-3067, DaRUS, V1 This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter files are provided for bulk phase simulations as well as for pore simulations with 14 different compounds. The pore simulations are...
Replication Data of Buchmeiser group for: Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes Confined in Mesoporous Silica: Tuning Transition States Towards Z-Selective Ring-Opening Cross-Metathesis Sep 15, 2023 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Goldstein, Elizabeth L.; Buchmeiser, Michael; Ziegler, Felix; Beurer, Ann-Katrin; Traa, Yvonne; Bruckner, Johanna R., 2023, "Replication Data of Buchmeiser group for: Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes Confined in Mesoporous Silica: Tuning Transition States Towards Z-Selective Ring-Opening Cross-Metathesis", https://doi.org/10.18419/darus-3696, DaRUS, V1 All primary data files of measurements and processed data of the journal article mentioned under related publications from the 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...
Replication data of Buchmeiser group for: "Isomers of Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes" Sep 6, 2023 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Elser, Iris; Schowner, Roman; Stöhr, Laura; Herz, Katharina; Benedikter, Mathis; Sen, Suman; Frey, Wolfgang; Wang, Dongren; Buchmeiser, Michael, 2023, "Replication data of Buchmeiser group for: "Isomers of Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/darus-3685, DaRUS, V1 All primary data files related to the publication. Procedures, recation conditions and used analytical equipment is discussed in detail in the experimental section or the supporting information of the paper. Novel complexes were examined via nuclear magnetic resonance (NMR) spect...
Data for "Betainic and ionic tungsten (VI) imido alkylidene N-heterocyclic olefin complexes" Aug 15, 2023 - SFB 1333 - Naumann group, IPOC-MSF Buchmeiser, Michael; Imbrich, Dominik; Wang, Dongren; Naumann, Stefan, 2023, "Data for "Betainic and ionic tungsten (VI) imido alkylidene N-heterocyclic olefin complexes"", https://doi.org/10.18419/darus-3664, DaRUS, V1 This dataset provides 1H and 13C NMR raw data for the isolable catalysts W2, W5, W6 and W7 described in the publication "Betainic and ionic tungsten (VI) imido alkylidene N-heterocyclic olefin complexes".

Replication data of B3 group for: "Tethering chiral Rh diene complexes inside mesoporous solids: experimental and theoretical study of substituent, pore and linker effects on asymmetric catalysis"

Apr 9, 2024 - SFB 1333 B3 - Laschat group, IOC

Kirchhof, Manuel, 2024, "Replication data of B3 group for: "Tethering chiral Rh diene complexes inside mesoporous solids: experimental and theoretical study of substituent, pore and linker effects on asymmetric catalysis"", https://doi.org/10.18419/darus-3547, DaRUS, V1, UNF:6:N+XAY3GC5dJdwFA2n/4lEA== [fileUNF]

In this dataset HPLC (high performance liquid chromatography) chromatograms of the products of the rhodium-catalyzed 1,2-addition and NMR (nuclear magnetic resonance) spectra of all prepared ligands, catalysts and catalysis products (NMR) are included. Furthermore, the excel shee...

Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement"

Dec 22, 2023 - SFB 1333 C6 - Holm group, ICP

Tischler, Ingo; Schlaich, Alexander; Holm, Christian, 2023, "Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement"", https://doi.org/10.18419/darus-3642, DaRUS, V1

The simulation scripts and the simulation data of the journal article mentioned under related publications from C6 group can be found here. The data is structured according to figures and schemes in the research article and contains the following data types: compressed (tar) text...

Replication data of the Buchmeiser group for: "Molybdenum Alkylidyne Silyloxy N-Heterocyclic Carbene Complexes - Highly Active Alkyne Metathesis Catalysts that can be Handled in Air"

Oct 24, 2023 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Musso, Janis; Gramm, Vincent; Stein, Sarjano; Frey, Wolfgang; Buchmeiser, Michael, 2023, "Replication data of the Buchmeiser group for: "Molybdenum Alkylidyne Silyloxy N-Heterocyclic Carbene Complexes - Highly Active Alkyne Metathesis Catalysts that can be Handled in Air"", https://doi.org/10.18419/darus-3267, DaRUS, V1

All primary data files of measurements and processed data of the journal article mentioned under related publications from the Buchmeiser group can be found here. The data consist of: *Processed (mestrenova) and unprocessed (fid-files) NMR spectra of novel compunds *NMR spectra f...

Replication Data for: Solvent Effects on Structure and Screening in Confined Electrolytes

Oct 19, 2023 - SFB 1333 A3 - Schlaich group, ICP

Yang, Jie; Kondrat, Svyatoslav; Lian, Cheng; Liu, Honglai; Schlaich, Alexander; Holm, Christian, 2023, "Replication Data for: Solvent Effects on Structure and Screening in Confined Electrolytes", https://doi.org/10.18419/darus-3743, DaRUS, V1, UNF:6:KtlgApor9/WXUtTKp63TBw== [fileUNF]

This is the repository holding the data and python scripts we used for creating the corresponding figures in the publication. Tabular files include the ion and solvent (for solvent-explicit simulations) densiies for a hard-sphere primitive electrolyte model confined between two c...

Replication Data for: Hydrosilylation of Alkynes Under Continuous Flow Using Polyurethane-Based Monolithic Supports with Tailored Mesoporosity

Oct 12, 2023 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Acikalin, Hande; Panyam, Pradeep Kumar Reddy; Shaikh, Wasif; Wang, Dongren; Kousik, Shravan R.; Atanasova, Petia; Buchmeiser, Michael, 2023, "Replication Data for: Hydrosilylation of Alkynes Under Continuous Flow Using Polyurethane-Based Monolithic Supports with Tailored Mesoporosity", https://doi.org/10.18419/darus-3733, DaRUS, V1

All primary data files related to the publication. Procedures, recation conditions and used analytical equipment is discussed in detail in the experimental section or the supporting information of the paper. Novel complexes were examined via nuclear magnetic resonance (NMR) spect...

Replication data of Buchmeiser group for: "Ligand Variations in Neutral and Cationic Molybdenum Alkylidyne NHC Catalysts"

Oct 4, 2023 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Groos, Jonas; Koy, Maximilian; Musso, Janis; Neuwirt, Michael; Pham, Thao; Hauser, Philipp Manuel; Frey, Wolfgang; Buchmeiser, Michael, 2023, "Replication data of Buchmeiser group for: "Ligand Variations in Neutral and Cationic Molybdenum Alkylidyne NHC Catalysts"", https://doi.org/10.18419/darus-3701, DaRUS, V1

Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'

Sep 21, 2023 - Molecular Simulation

Kraus, Hamzeh; Högler, Marc; Hansen, Niels, 2023, "Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'", https://doi.org/10.18419/darus-3067, DaRUS, V1

This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter files are provided for bulk phase simulations as well as for pore simulations with 14 different compounds. The pore simulations are...

Replication Data of Buchmeiser group for: Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes Confined in Mesoporous Silica: Tuning Transition States Towards Z-Selective Ring-Opening Cross-Metathesis

Sep 15, 2023 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Goldstein, Elizabeth L.; Buchmeiser, Michael; Ziegler, Felix; Beurer, Ann-Katrin; Traa, Yvonne; Bruckner, Johanna R., 2023, "Replication Data of Buchmeiser group for: Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes Confined in Mesoporous Silica: Tuning Transition States Towards Z-Selective Ring-Opening Cross-Metathesis", https://doi.org/10.18419/darus-3696, DaRUS, V1

All primary data files of measurements and processed data of the journal article mentioned under related publications from the 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...

Replication data of Buchmeiser group for: "Isomers of Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes"

Sep 6, 2023 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Elser, Iris; Schowner, Roman; Stöhr, Laura; Herz, Katharina; Benedikter, Mathis; Sen, Suman; Frey, Wolfgang; Wang, Dongren; Buchmeiser, Michael, 2023, "Replication data of Buchmeiser group for: "Isomers of Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/darus-3685, DaRUS, V1

Data for "Betainic and ionic tungsten (VI) imido alkylidene N-heterocyclic olefin complexes"

Aug 15, 2023 - SFB 1333 - Naumann group, IPOC-MSF

Buchmeiser, Michael; Imbrich, Dominik; Wang, Dongren; Naumann, Stefan, 2023, "Data for "Betainic and ionic tungsten (VI) imido alkylidene N-heterocyclic olefin complexes"", https://doi.org/10.18419/darus-3664, DaRUS, V1

This dataset provides 1H and 13C NMR raw data for the isolable catalysts W2, W5, W6 and W7 described in the publication "Betainic and ionic tungsten (VI) imido alkylidene N-heterocyclic olefin complexes".

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