All primary data files of published research from CRC 1333, e.g. from journal articles.
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131 to 140 of 161 Results
Publication data for: "Experimental and Theoretical Study on the Role of Monomeric vs Dimeric Rhodium Oxazolidinone Norbornadiene Complexes in Catalytic Asymmetric 1,2- and 1,4-Additions", data from Kästner group
Apr 20, 2021 - SFB 1333 C4 - Kästner group, ITheoC
Gugeler, Katrin; Kästner, Johannes, 2021, "Publication data for: "Experimental and Theoretical Study on the Role of Monomeric vs Dimeric Rhodium Oxazolidinone Norbornadiene Complexes in Catalytic Asymmetric 1,2- and 1,4-Additions", data from Kästner group", https://doi.org/10.18419/DARUS-1251, DaRUS, V1
This dataset includes all relevant files from all theoretical calculations at DFT level and semi-empirical GFN2-xTB level. The file "complex_solvation.tgz" includes all calculations for the solvation of the dimeric complexes with water. That includes geometry optimizations. The file "1_4_addition.tgz" includes all calculations for the 1,4-addition...
Catalysis Data and NMR Characterization of all Compounds for "Experimental and Theoretical Study on the Role of Monomeric vs Dimeric Rhodium Oxazolidinone Norbornadiene Complexes in Catalytic Asymmetric 1,2- and 1,4-Additions"
Apr 19, 2021 - SFB 1333 B3 - Laschat group, IOC
Kirchhof, Manuel, 2021, "Catalysis Data and NMR Characterization of all Compounds for "Experimental and Theoretical Study on the Role of Monomeric vs Dimeric Rhodium Oxazolidinone Norbornadiene Complexes in Catalytic Asymmetric 1,2- and 1,4-Additions"", https://doi.org/10.18419/DARUS-1250, DaRUS, V1
In this dataset HPLC (high performance liquid chromatography) chromatograms of the products of the rhodium-catalyzed 1,2-addition and the respective examinations of the nonlinear and nonlinear-like effect (HPLC 1.2-Addition; HPLC-Messungen NLE und NLLE) and gas chromatograms of the products of the rhodium-catalyzed 1,4-addition (GC-Analytik) are li...
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 experimental section or the supporting information of the paper. NMR Spectra are...
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-azidopropyl thiol, X-ray photoelectron spectroscopy (XPS), proton nuclear ma...
Publication data for: "From Macro to Mesoporous ZnO Inverse Opals: Synthesis, Characterization and Tracer Diffusion Properties"
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 investigated via confocal laser scanning microscopy (CLSM) and fluoresc...
Data from Bill group for: Hierarchical Silica Inverse Opals as a Catalyst Support for Asymmetric Molecular Heterogeneous Catalysis with Chiral Rh-diene Complexes
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 microscopy (SEM) and Brunauer-Emmett-Teller (BET) nitrogen sorption data....
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.
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