SFB 1333 "Molecular heterogeneous catalysis in confined geometries"

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Author Affiliation: University of Stuttgart

1 to 10 of 18 Results

Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects' Apr 29, 2021 - Molecular Simulation Kobayashi, Takeshi; Kraus, Hamzeh; Hansen, Niels; Fyta, Maria, 2021, "Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'", https://doi.org/10.18419/darus-1138, DaRUS, V1 This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files are provided for the simulations discussed in the paper. The data of the final NVT production simulation run are stored for t...
Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Mar 9, 2022 - Molecular Simulation Kraus, Hamzeh; Hansen, Niels, 2022, "Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'", https://doi.org/10.18419/darus-2154, DaRUS, V1 This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter files are provided for all simulations conducted within the paper. The simulation is divided into three steps, an energy-minimizati...
Rh(I)/(III)-N-Heterocyclic Carbene Complexes: Effect of Steric Confinement Upon Immobilization on Regio- and Stereoselectivity in the Hydrosilylation of Alkynes Feb 7, 2022 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Panyam, Pradeep Kumar Reddy; Atwi, Boshra; Ziegler, Felix; Frey, Wolfgang; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael, 2022, "Rh(I)/(III)-N-Heterocyclic Carbene Complexes: Effect of Steric Confinement Upon Immobilization on Regio- and Stereoselectivity in the Hydrosilylation of Alkynes", https://doi.org/10.18419/darus-2473, DaRUS, V1 Novel Rh(III) pentamethylcyclopentadienyl and Rh(I) complexes containing chelating N-heterocyclic carbenes have been prepared and used in the hydrosilylation of 1-alkynes. Selected catalysts were immobilized within the mesopores of SBA-15. The confinement effects either provided...
Replication data of the Buchmeiser Group for "Macrocyclization of Dienes Under Confinement With Cationic Tungsten Imido/Oxo Alkylidene N-Heterocyclic Carbene Complexes" Nov 10, 2023 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Ziegler, Felix; Bruckner, Johanna R.; Nowakowski, Michal; Bauer, Matthias; Probst, Patrick; Atwi, Boshra; Buchmeiser, Michael, 2023, "Replication data of the Buchmeiser Group for "Macrocyclization of Dienes Under Confinement With Cationic Tungsten Imido/Oxo Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/darus-3702, DaRUS, V1 This dataset includes proton nuclear magnetic resonance data from catalytic investigations, scanning electron microscopy images of the ordered mesoporous silica particles, gas adsorption data for the determination of porous diameter, as well as x-ray absorption spectroscopic data...
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...
Replication data of C6 group for: "A thermalized electrokinetics model including stochastic reactions suitable for multiscale simulations of reaction-advection-diffusion systems" Jul 20, 2022 - SFB 1333 C6 - Holm group, ICP Tischler, Ingo; Holm, Christian; Weeber, Rudolf; Kuron, Michael; Weik, Florian; Kaufmann, Robert, 2022, "Replication data of C6 group for: "A thermalized electrokinetics model including stochastic reactions suitable for multiscale simulations of reaction-advection-diffusion systems"", https://doi.org/10.18419/darus-2258, DaRUS, V1 All primary data files of measurements and processed 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: text files...
Replication data of Buchmeiser group for: "Tungsten Sulfido Alkylidene and Cationic Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes" Dec 17, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Hauser, Philipp Manuel; Frey, Wolfgang; Buchmeiser, Michael, 2021, "Replication data of Buchmeiser group for: "Tungsten Sulfido Alkylidene and Cationic Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/darus-2297, DaRUS, V1 The synthesis of neutral tungsten sulfido alkylidene complexes as well as cationic tungsten alkylidene NHC complexes is outlined. The first tungsten sulfido alkylidene complexes for olefin metathesis reactions were synthesized. Alkylidyne complexes were used as precursors and wer...
Replication data of Buchmeiser group for: "Predicting Catalytic Activity from 13CCH Alkylidene Chemical Shift in Cationic Tungsten Oxo Alkylidene N-Heterocyclic Carbene Complexes" Dec 22, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Musso, Janis; Schowner, Roman; Falivene, Laura; Cavallo, Luigi; Buchmeiser, Michael, 2021, "Replication data of Buchmeiser group for: "Predicting Catalytic Activity from 13CCH Alkylidene Chemical Shift in Cationic Tungsten Oxo Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/darus-2313, 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. Novel cationic tungsten oxo alkylidene NHC complexes have been synthesized and characterized. Their catalytic activity in...
Replication data of Buchmeiser group for: "Cationic Tungsten Imido Alkylidene N-Heterocyclic Carbene Complexes That Contain Bulky Ligands" 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...
Replication data of Buchmeiser group for: "Cationic tungsten imido alkylidene N-heterocyclic carbene complexes for stereospecific ring-opening metathesis polymerization of norbornene derivatives" Oct 29, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Musso, Janis; Benedikter, Mathis; Gebel, Paul; Gramm, Vincent; Schowner, Roman; Buchmeiser, Michael, 2021, "Replication data of Buchmeiser group for: "Cationic tungsten imido alkylidene N-heterocyclic carbene complexes for stereospecific ring-opening metathesis polymerization of norbornene derivatives"", https://doi.org/10.18419/darus-2222, 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: me...

Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'

Apr 29, 2021 - Molecular Simulation

Kobayashi, Takeshi; Kraus, Hamzeh; Hansen, Niels; Fyta, Maria, 2021, "Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'", https://doi.org/10.18419/darus-1138, DaRUS, V1

This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files are provided for the simulations discussed in the paper. The data of the final NVT production simulation run are stored for t...

Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'

Mar 9, 2022 - Molecular Simulation

Kraus, Hamzeh; Hansen, Niels, 2022, "Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'", https://doi.org/10.18419/darus-2154, DaRUS, V1

This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter files are provided for all simulations conducted within the paper. The simulation is divided into three steps, an energy-minimizati...

Rh(I)/(III)-N-Heterocyclic Carbene Complexes: Effect of Steric Confinement Upon Immobilization on Regio- and Stereoselectivity in the Hydrosilylation of Alkynes

Feb 7, 2022 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Panyam, Pradeep Kumar Reddy; Atwi, Boshra; Ziegler, Felix; Frey, Wolfgang; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael, 2022, "Rh(I)/(III)-N-Heterocyclic Carbene Complexes: Effect of Steric Confinement Upon Immobilization on Regio- and Stereoselectivity in the Hydrosilylation of Alkynes", https://doi.org/10.18419/darus-2473, DaRUS, V1

Novel Rh(III) pentamethylcyclopentadienyl and Rh(I) complexes containing chelating N-heterocyclic carbenes have been prepared and used in the hydrosilylation of 1-alkynes. Selected catalysts were immobilized within the mesopores of SBA-15. The confinement effects either provided...

Replication data of the Buchmeiser Group for "Macrocyclization of Dienes Under Confinement With Cationic Tungsten Imido/Oxo Alkylidene N-Heterocyclic Carbene Complexes"

Nov 10, 2023 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Ziegler, Felix; Bruckner, Johanna R.; Nowakowski, Michal; Bauer, Matthias; Probst, Patrick; Atwi, Boshra; Buchmeiser, Michael, 2023, "Replication data of the Buchmeiser Group for "Macrocyclization of Dienes Under Confinement With Cationic Tungsten Imido/Oxo Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/darus-3702, DaRUS, V1

This dataset includes proton nuclear magnetic resonance data from catalytic investigations, scanning electron microscopy images of the ordered mesoporous silica particles, gas adsorption data for the determination of porous diameter, as well as x-ray absorption spectroscopic data...

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...

Replication data of C6 group for: "A thermalized electrokinetics model including stochastic reactions suitable for multiscale simulations of reaction-advection-diffusion systems"

Jul 20, 2022 - SFB 1333 C6 - Holm group, ICP

Tischler, Ingo; Holm, Christian; Weeber, Rudolf; Kuron, Michael; Weik, Florian; Kaufmann, Robert, 2022, "Replication data of C6 group for: "A thermalized electrokinetics model including stochastic reactions suitable for multiscale simulations of reaction-advection-diffusion systems"", https://doi.org/10.18419/darus-2258, DaRUS, V1

All primary data files of measurements and processed 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: text files...

Replication data of Buchmeiser group for: "Tungsten Sulfido Alkylidene and Cationic Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes"

Dec 17, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Hauser, Philipp Manuel; Frey, Wolfgang; Buchmeiser, Michael, 2021, "Replication data of Buchmeiser group for: "Tungsten Sulfido Alkylidene and Cationic Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/darus-2297, DaRUS, V1

The synthesis of neutral tungsten sulfido alkylidene complexes as well as cationic tungsten alkylidene NHC complexes is outlined. The first tungsten sulfido alkylidene complexes for olefin metathesis reactions were synthesized. Alkylidyne complexes were used as precursors and wer...

Replication data of Buchmeiser group for: "Predicting Catalytic Activity from 13CCH Alkylidene Chemical Shift in Cationic Tungsten Oxo Alkylidene N-Heterocyclic Carbene Complexes"

Dec 22, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Musso, Janis; Schowner, Roman; Falivene, Laura; Cavallo, Luigi; Buchmeiser, Michael, 2021, "Replication data of Buchmeiser group for: "Predicting Catalytic Activity from 13CCH Alkylidene Chemical Shift in Cationic Tungsten Oxo Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/darus-2313, 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. Novel cationic tungsten oxo alkylidene NHC complexes have been synthesized and characterized. Their catalytic activity in...

Replication data of Buchmeiser group for: "Cationic Tungsten Imido Alkylidene N-Heterocyclic Carbene Complexes That Contain Bulky Ligands"

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...

Replication data of Buchmeiser group for: "Cationic tungsten imido alkylidene N-heterocyclic carbene complexes for stereospecific ring-opening metathesis polymerization of norbornene derivatives"

Oct 29, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Musso, Janis; Benedikter, Mathis; Gebel, Paul; Gramm, Vincent; Schowner, Roman; Buchmeiser, Michael, 2021, "Replication data of Buchmeiser group for: "Cationic tungsten imido alkylidene N-heterocyclic carbene complexes for stereospecific ring-opening metathesis polymerization of norbornene derivatives"", https://doi.org/10.18419/darus-2222, 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: me...

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