11 to 20 of 189 Results
Feb 27, 2026 - SFB 1333 B6 - Peters group, IOC
Jangid, Khushbu; Schmoltzi, Lisa; Allgaier, Alexander; Kataria, Radhika; Wanner, Daniel M.; Herrmann, Justin; Gschwind, Janis; Münch, Silvio; van Slageren, Joris; Kästner, Johannes; Peters, René, 2026, "Publication data for: "Class-II-aldolase-mimicking polyfunctional Lewis acid/azolium-aryloxide catalysts in direct enantioselective nitro-aldol additions"", https://doi.org/10.18419/DARUS-5733, DaRUS, V1
This dataset provides the underlying experimental and computational research data for the publication "Class-II-aldolase-mimicking polyfunctional Lewis acid/azolium-aryloxide catalysts in direct enantioselective nitro-aldol additions". Data type and creation: The dataset comprises analytical and spectroscopic measurements (NMR, HRMS, IR, UV-Vis, CD... |
Feb 18, 2026 - SFB 1333 A3 - Lotsch group, MPI-FKF
Rodríguez-Camargo, Andrés; Yıldız, Erdost; Juela, Diego; Fischer, Felix Richard; Graf, Daniel; Rath, Bibhuti Bhusan; Ochsenfeld, Christian; Yao, Liang; Lotsch, Bettina V., 2026, "Data for: Mixed-Length Multivariate Covalent Organic Framework for Combined Near-Infrared Photodynamic Therapy and Drug Delivery", https://doi.org/10.18419/DARUS-4837, DaRUS, V1
All primary data files of measurements and processed data of the journal article can be found here. The data is structured according to analytical techniques. The material measured is described in a file name. The dataset includes only experimental data and no simulational data. The measurement methods are described in the SI of the journal article... |
Feb 18, 2026 - SFB 1333 - Naumann group, Uni Freiburg
Kersten, Erik; Linker, Olga; Blankenburg, Jan; Wagner, Manfred; Walther, Patrick; Naumann, Stefan; Frey, Holger, 2026, "Data for "Revealing the Monomer Gradient of Polyether Copolymers Prepared Using N-Heterocyclic Olefins: Metal-Free Anionic versus Zwitterionic Lewis Pair Polymerization"", https://doi.org/10.18419/DARUS-3794, DaRUS, V1
This data set contains representative catalyst precursor 1H NMR raw data related to the publication cited above (literature-known iodide salts of NHO 1 and NHO 2, respectively). Liberation of the active catalysts from such precursors was done by the cooperation partners as described in the paper. |
Feb 17, 2026 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Bhattacharya, Somnath; Högler, Marc; Buchmeiser, Michael; Hansen, Niels; Fischer, Felix Richard, 2026, "Replication Data for: "Ethylene Oligomerization Under Confinement Using Supported Cr(II) and Cr(III) Catalysts"", https://doi.org/10.18419/DARUS-5723, DaRUS, V1
All primary data files (NMR, GC-MS, BET, DSC, ICP-OES and XAS) associated with this publication can be found here. Synthesized ligands (L1-L2, CAAC-1) and polymers (PEs) were characterized via nuclear magnetic resonance (NMR) spectroscopy and the spectra can be found in NMR folder. BET data, DSC data, XAS data and GC-MS and NMR Spectra are specifie... |
Feb 6, 2026 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Atwi, Boshra; Wang, Dongren; Bruckner, Johanna R.; Frey, Wolfgang; Buchmeiser, Michael, 2026, "Data for Confinement-Induced Z-Selectivity in the Rhodium N-Heterocyclic Carbene-Catalyzed Hydroboration of Terminal Alkynes", https://doi.org/10.18419/DARUS-5678, DaRUS, V1
The concept of solid catalyst coated with a 1 nm layer of an ionic liquid [BMIM+ BF4-] was employed, resulting in a 22-fold increase in β(Z)-selectivity for Rh(I)- and Rh(III)- complexes based on N- and O-chelating N-heterocyclic carbenes (NHCs). The primary data files for the synthesized ligand and complexes as well as performed catalysis are prov... |
Feb 3, 2026 - SFB 1333 INF - Pleiss, Hansen, Endo
Neubauer, Felix; Endo, Kenichi; Bender, Frederic; Çiftçi, Esengül; Hansen, Niels; Krause, Simon; Uekermann, Benjamin; Pleiss, Jürgen, 2026, "Data models, synthetic procedures, PXRD patterns, and analysis results for "Data-Model-Driven Management and Analysis of MOF Synthesis Data"", https://doi.org/10.18419/DARUS-5695, DaRUS, V1, UNF:6:fIE06pGj2HNCR4EEgN7DIw== [fileUNF]
This dataset contains data models, synthesis procedures, PXRD patterns, and analysis results underlying the article “Data-Model-Driven Management and Analysis of MOF Synthesis Data”. It includes a data model for MOF synthesis based on XDL and two example MOF synthesis datasets (Fe–terephthalate MOFs and MOCOF-1) with procedures and experimental pro... |
Feb 2, 2026 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Bhattacharya, Somnath; Allgaier, Alexander; Frey, Wolfgang; van Slageren, Joris; Buchmeiser, Michael, 2026, "Replication Data for: "Phenolate- and Alcoholate-Based Chromium N-Heterocyclic Carbene Complexes: Structural Peculiarities, Magnetometric and EPR Study and Catalytic Ethylene Oligomerization"", https://doi.org/10.18419/DARUS-5689, DaRUS, V1
All primary data files (NMR, GC-MS, Crystal data) associated with this publication, experimental procedures, reaction conditions and used analytical equipment can be found in detail in the experimental section or in the supporting information of the paper. Synthesized ligands (L1-L3) and and polymers (PEs) were characterized via nuclear magnetic re... |
Jan 19, 2026 - SFB 1333 C4 - Kästner group, ITheoC
Haid, Severin; Kästner, Johannes, 2026, "Replication Data for: Correlating the Reactivity of Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes in Ene-Yne Metathesis and Cyclopolymerization", https://doi.org/10.18419/DARUS-5600, DaRUS, V1
In this dataset, all simulation data are listed. The reaction mechanism for a cycloisomerization for the metathesis polymerization for Molybdenum Imido Alkylidene NHC catalysts was investigated using quantum chemical methods. All intermediates for two reaction paths, and one catalyst, were calculated and are given in the directory "Cat3_comp". For... |
Jan 19, 2026 - SFB 1333 C4 - Kästner group, ITheoC
Haid, Severin; Gugeler, Katrin; Beck, Alexander; Kästner, Johannes, 2026, "Replication Data for: Chiral Rh diene NHC Complexes and their Application in Rh-Catalyzed Cycloisomerization of Enynes", https://doi.org/10.18419/DARUS-5643, DaRUS, V1
In this dataset, all simulation data are listed. The reaction mechanism for a cycloisomerization using an NHC Diene Rhodium catalyst was investigated using quantum chemical methods. All relevant intermediates and transition states were calculated for two different paths and two different NHCs, respectively. This includes geometry optimizations, ene... |
Jan 16, 2026 - SFB 1333 C4 - Kästner group, ITheoC
Haid, Severin; Kästner, Johannes, 2026, "Replication Data for: Tuning Regioselectivity in Cyclopolymerization through Carbene Ligand Size Modulation in Molybdenum Imido Alkylidene Catalysts", https://doi.org/10.18419/DARUS-5601, DaRUS, V1, UNF:6:0oSw6+PTOBrLaZ7L1EFQYg== [fileUNF]
In this dataset, all simulation data are listed. That includes all geometry optimizations and, where relevant, energy and/or partial charge calculations. All structures are named "*.xyz", the input files are named "*.chm", and the output files are named "out". The names of the catalysts are different in the simulations than the ones used in the pap... |
