SFB 1333 "Molecular heterogeneous catalysis in confined geometries"

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Publication Year: 2021

31 to 40 of 66 Results

Data for Silica‐Supported Cationic Tungsten Imido Alkylidene Stabilized by an N‐Heterocyclic Carbene Ligand Boosts Activity and Selectivity in the Metathesis of α‐Olefins Apr 19, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Benedikter, Mathis, 2021, "Data for Silica‐Supported Cationic Tungsten Imido Alkylidene Stabilized by an N‐Heterocyclic Carbene Ligand Boosts Activity and Selectivity in the Metathesis of α‐Olefins", https://doi.org/10.18419/darus-1703, DaRUS, V1 All primary data files that were contributed to the publication by the Buchmeiser Research Group can be found here. Data obtained by the Coperet Research Group is not included. Procedures, recation conditions and used analytical equipment is discussed in detail in the experimenta...
Publication data for: "Proton Affinities of N-Heterocyclic Olefins and Their Implications for Organocatalyst Design", data from Kästner group Apr 15, 2021 - SFB 1333 C4 - Kästner group, ITheoC Schuldt, Robin; Kästner, Johannes; Naumann, Stefan, 2021, "Publication data for: "Proton Affinities of N-Heterocyclic Olefins and Their Implications for Organocatalyst Design", data from Kästner group", https://doi.org/10.18419/darus-1246, DaRUS, V1 All primary data files and processed data of the journal article from Kästner group. The input and output of each DFT calculation in one directory.
Data from Bill group for: Adsorption of azide-functionalized thiol linkers on zinc oxide surfaces Apr 15, 2021 - SFB 1333 A5 - Bill group, IMW Atanasova, Petia, 2021, "Data from Bill group for: Adsorption of azide-functionalized thiol linkers on zinc oxide surfaces", https://doi.org/10.18419/darus-1401, DaRUS, V1, UNF:6:Gkrxs8W9Y398IppHixpFRg== [fileUNF] Primary and processed data files obtained by the Bill group in relation to the figures appearing in the journal article and supporting information are included. Specifically, Atomic force microscopy (AFM) images of bare ZnO(101̄0) surface and ZnO surface immobilized with 3-azidop...
Publication data for: "From Macro to Mesoporous ZnO Inverse Opals: Synthesis, Characterization and Tracer Diffusion Properties" Apr 15, 2021 - SFB 1333 A5 - Bill group, IMW Kousik, Shravan R., 2021, "Publication data for: "From Macro to Mesoporous ZnO Inverse Opals: Synthesis, Characterization and Tracer Diffusion Properties"", https://doi.org/10.18419/darus-1399, DaRUS, V1, UNF:6:hD14tiP+DJV00NtMt0Oifw== [fileUNF] This paper describes the synthesis and characterization of macro-mesoporous ZnO inverse opals through a template-based approach. In addition, the distribution and diffusion of a fluorescent organic tracer molecule (Alexa Fluor 488) through quasi-mesoporous ZnO inverse opals was i...
Data from Bill group for: Hierarchical Silica Inverse Opals as a Catalyst Support for Asymmetric Molecular Heterogeneous Catalysis with Chiral Rh-diene Complexes Apr 14, 2021 - SFB 1333 A5 - Bill group, IMW Atanasova, Petia, 2021, "Data from Bill group for: Hierarchical Silica Inverse Opals as a Catalyst Support for Asymmetric Molecular Heterogeneous Catalysis with Chiral Rh-diene Complexes", https://doi.org/10.18419/darus-1788, DaRUS, V1 This dataset contains primary and processed data files obtained by the Bill group for the related publication. The data from the other collaborating groups are included in a separate dataset. This dataset consists of scanning electron microscopy (SEM), confocal laser scanning mic...
Publication data for: "Evaporation and Fragmentation of Organic Molecules in Strong Electric Fields Simulated with DFT" - data from Kästner group Apr 14, 2021 - SFB 1333 C4 - Kästner group, ITheoC Dietrich, Carolin; Schuldt, Robin; Born, Daniel; Solodenko, Helena; Schmitz, Guido; Kästner, Johannes, 2021, "Publication data for: "Evaporation and Fragmentation of Organic Molecules in Strong Electric Fields Simulated with DFT" - data from Kästner group", https://doi.org/10.18419/darus-1459, DaRUS, V1 All primary data files and processed data of the journal article from Kästner group. Turbomole input and output files for all calculations used in the paper, one directory per case.
Publication data for: "Field evaporation and atom probe tomography of pure water tips" - data from Kästner group Apr 14, 2021 - SFB 1333 C4 - Kästner group, ITheoC Schwarz, Tim; Weikum, Erik; Meng, Kuan; Hadjixenophontos, Efi; Dietrich, Carolin; Kästner, Johannes; Stender, Patrick; Schmitz, Guido, 2021, "Publication data for: "Field evaporation and atom probe tomography of pure water tips" - data from Kästner group", https://doi.org/10.18419/darus-1462, DaRUS, V1 All primary data files and processed data of the journal article from Kästner group (DFT calculations).
Publication data from the Simulation part for: "Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-Ray, XAS, XES, DFT, Moessbauer and Catalysis Approach" Apr 13, 2021 - SFB 1333 C4 - Kästner group, ITheoC Kästner, Johannes; Kesharwani, Manoj Kumar, 2021, "Publication data from the Simulation part for: "Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-Ray, XAS, XES, DFT, Moessbauer and Catalysis Approach"", https://doi.org/10.18419/darus-1162, DaRUS, V1 All primary and processed data of the DFT calculation for the journal article. Each calculation (input and output files) is contained in one directory.
Publication data of the Simulations for: "Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Catalyst" Apr 13, 2021 - SFB 1333 C4 - Kästner group, ITheoC Kästner, Johannes; Kesharwani, Manoj Kumar; Elser, Iris; Musso, Janis; Buchmeiser, Michael, 2021, "Publication data of the Simulations for: "Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Catalyst"", https://doi.org/10.18419/darus-1161, DaRUS, V1 All primary data files and processed data of the calculations contributing to the journal article. The input and output files of each case are given in one directory.
Publication data for: "Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(dppf)Fe(CO)3]+/0" Apr 12, 2021 - SFB 1333 C2 - van Slageren group, IPC Winkler, Mario, 2021, "Publication data for: "Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(dppf)Fe(CO)3]+/0"", https://doi.org/10.18419/darus-1410, DaRUS, V1 All primary data files and processed data of the journal article from all affiliated authors to reproduce all simulations and figures used in the main text and supporting information. The data sets are sorted by the measurement technique with the raw data as given by the measurem...

Data for Silica‐Supported Cationic Tungsten Imido Alkylidene Stabilized by an N‐Heterocyclic Carbene Ligand Boosts Activity and Selectivity in the Metathesis of α‐Olefins

Apr 19, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Benedikter, Mathis, 2021, "Data for Silica‐Supported Cationic Tungsten Imido Alkylidene Stabilized by an N‐Heterocyclic Carbene Ligand Boosts Activity and Selectivity in the Metathesis of α‐Olefins", https://doi.org/10.18419/darus-1703, DaRUS, V1

All primary data files that were contributed to the publication by the Buchmeiser Research Group can be found here. Data obtained by the Coperet Research Group is not included. Procedures, recation conditions and used analytical equipment is discussed in detail in the experimenta...

Publication data for: "Proton Affinities of N-Heterocyclic Olefins and Their Implications for Organocatalyst Design", data from Kästner group

Apr 15, 2021 - SFB 1333 C4 - Kästner group, ITheoC

Schuldt, Robin; Kästner, Johannes; Naumann, Stefan, 2021, "Publication data for: "Proton Affinities of N-Heterocyclic Olefins and Their Implications for Organocatalyst Design", data from Kästner group", https://doi.org/10.18419/darus-1246, DaRUS, V1

All primary data files and processed data of the journal article from Kästner group. The input and output of each DFT calculation in one directory.

Data from Bill group for: Adsorption of azide-functionalized thiol linkers on zinc oxide surfaces

Apr 15, 2021 - SFB 1333 A5 - Bill group, IMW

Atanasova, Petia, 2021, "Data from Bill group for: Adsorption of azide-functionalized thiol linkers on zinc oxide surfaces", https://doi.org/10.18419/darus-1401, DaRUS, V1, UNF:6:Gkrxs8W9Y398IppHixpFRg== [fileUNF]

Primary and processed data files obtained by the Bill group in relation to the figures appearing in the journal article and supporting information are included. Specifically, Atomic force microscopy (AFM) images of bare ZnO(101̄0) surface and ZnO surface immobilized with 3-azidop...

Publication data for: "From Macro to Mesoporous ZnO Inverse Opals: Synthesis, Characterization and Tracer Diffusion Properties"

Apr 15, 2021 - SFB 1333 A5 - Bill group, IMW

Kousik, Shravan R., 2021, "Publication data for: "From Macro to Mesoporous ZnO Inverse Opals: Synthesis, Characterization and Tracer Diffusion Properties"", https://doi.org/10.18419/darus-1399, DaRUS, V1, UNF:6:hD14tiP+DJV00NtMt0Oifw== [fileUNF]

This paper describes the synthesis and characterization of macro-mesoporous ZnO inverse opals through a template-based approach. In addition, the distribution and diffusion of a fluorescent organic tracer molecule (Alexa Fluor 488) through quasi-mesoporous ZnO inverse opals was i...

Data from Bill group for: Hierarchical Silica Inverse Opals as a Catalyst Support for Asymmetric Molecular Heterogeneous Catalysis with Chiral Rh-diene Complexes

Apr 14, 2021 - SFB 1333 A5 - Bill group, IMW

Atanasova, Petia, 2021, "Data from Bill group for: Hierarchical Silica Inverse Opals as a Catalyst Support for Asymmetric Molecular Heterogeneous Catalysis with Chiral Rh-diene Complexes", https://doi.org/10.18419/darus-1788, DaRUS, V1

This dataset contains primary and processed data files obtained by the Bill group for the related publication. The data from the other collaborating groups are included in a separate dataset. This dataset consists of scanning electron microscopy (SEM), confocal laser scanning mic...

Publication data for: "Evaporation and Fragmentation of Organic Molecules in Strong Electric Fields Simulated with DFT" - data from Kästner group

Apr 14, 2021 - SFB 1333 C4 - Kästner group, ITheoC

Dietrich, Carolin; Schuldt, Robin; Born, Daniel; Solodenko, Helena; Schmitz, Guido; Kästner, Johannes, 2021, "Publication data for: "Evaporation and Fragmentation of Organic Molecules in Strong Electric Fields Simulated with DFT" - data from Kästner group", https://doi.org/10.18419/darus-1459, DaRUS, V1

All primary data files and processed data of the journal article from Kästner group. Turbomole input and output files for all calculations used in the paper, one directory per case.

Publication data for: "Field evaporation and atom probe tomography of pure water tips" - data from Kästner group

Apr 14, 2021 - SFB 1333 C4 - Kästner group, ITheoC

Schwarz, Tim; Weikum, Erik; Meng, Kuan; Hadjixenophontos, Efi; Dietrich, Carolin; Kästner, Johannes; Stender, Patrick; Schmitz, Guido, 2021, "Publication data for: "Field evaporation and atom probe tomography of pure water tips" - data from Kästner group", https://doi.org/10.18419/darus-1462, DaRUS, V1

All primary data files and processed data of the journal article from Kästner group (DFT calculations).

Publication data from the Simulation part for: "Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-Ray, XAS, XES, DFT, Moessbauer and Catalysis Approach"

Apr 13, 2021 - SFB 1333 C4 - Kästner group, ITheoC

Kästner, Johannes; Kesharwani, Manoj Kumar, 2021, "Publication data from the Simulation part for: "Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-Ray, XAS, XES, DFT, Moessbauer and Catalysis Approach"", https://doi.org/10.18419/darus-1162, DaRUS, V1

All primary and processed data of the DFT calculation for the journal article. Each calculation (input and output files) is contained in one directory.

Publication data of the Simulations for: "Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Catalyst"

Apr 13, 2021 - SFB 1333 C4 - Kästner group, ITheoC

Kästner, Johannes; Kesharwani, Manoj Kumar; Elser, Iris; Musso, Janis; Buchmeiser, Michael, 2021, "Publication data of the Simulations for: "Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Catalyst"", https://doi.org/10.18419/darus-1161, DaRUS, V1

All primary data files and processed data of the calculations contributing to the journal article. The input and output files of each case are given in one directory.

Publication data for: "Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(dppf)Fe(CO)3]+/0"

Apr 12, 2021 - SFB 1333 C2 - van Slageren group, IPC

Winkler, Mario, 2021, "Publication data for: "Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(dppf)Fe(CO)3]+/0"", https://doi.org/10.18419/darus-1410, DaRUS, V1

All primary data files and processed data of the journal article from all affiliated authors to reproduce all simulations and figures used in the main text and supporting information. The data sets are sorted by the measurement technique with the raw data as given by the measurem...

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