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Data for: 'EnzymeML-based modeling workflow: from raw data to kinetic paramet...
Kinetic parameter estimates for small laccase (SLAC) catalyzed oxidation of ABTS, investigated across the temperature range between 25 °C and 45°C. This dataset contains the... -
Replication Data for: Influence of ZSM-5 Crystal Size on Methanol-to-Olefin (...
Original data (Catalytic measurements, Characterization) of the journal article mentioned under related publications from the Dyballa group can be found here. See File... -
Replication Data for: A Complementary Experimental and Theoretical Approach f...
This dataset contains raw and processed data corresponding to all the atomic force microscopy (AFM), scanning electron microscopy (SEM), polarization-modulation infrared... -
Additional data related to Weirich et al.: Discovery of new NSD2 non-histone ...
This data collection contains additional data related to Weirich et al.: "Discovery of new NSD2 non-histone substrates and design of a super-substrate". This includes Modelled... -
Supporting Information: Notebooks, Solute Configurations and Solvation Free E...
This dataset contains three types of data: 1) Jupyter notebooks (.ipynb) for the calculation of solvation free energies and for the recreation of all figures in the publication;... -
Replication Data for: Effect of liquid confinement on regioselectivity in the...
All primary data files related to the publication. Procedures, reaction conditions and used analytical equipment is discussed in detail in the experimental section or the... -
Replication Data for: Hydrosilylation of Alkynes Under Continuous Flow Using ...
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... -
Molecular simulation scripts for slit nanopores with tunable hydrophilicity
GROMACS molecular simulation input files for slit nanopores filled with liquid water. Initial configuration can be generated using the Python script build_system.py. Use the... -
Replication Data for: Accessibility of Reactants and Neighborhood of Mo Speci...
Original data (Catalytic measurements, Characterization) of the journal article mentioned under related publications from the Dyballa group can be found here. See File... -
Replication Data for: Desilicated ZSM-5 Catalysts: Properties and Ethanol to ...
Original data (Catalytic measurements, Characterization) of the journal article mentioned under related publications from the Dyballa group can be found here. See File... -
Replication data of the Buchmeiser Group for "Macrocyclization of Dienes Unde...
This dataset includes proton nuclear magnetic resonance data from catalytic investigations, scanning electron microscopy images of the ordered mesoporous silica particles, gas... -
Replication data of Buchmeiser group for: "Ligand Variations in Neutral and C...
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... -
Replication Data for Neutral and Cationic Molybdenum Imido Alkylidene Cyclic ...
The files include the NMR data of the novel complexes and cif files of the single crystal X-ray structure of selected structures. Experimental details could be found in the... -
Replication Data of Buchmeiser group for: Cationic Molybdenum Imido Alkyliden...
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... -
Replication data of Kästner group for: "Understanding the Underlying Field Ev...
In this dataset, all simulation data are listed. That includes all geometry optimized structures as xyz-files and all input-files for the calculations as chm-files. -
Replication data of Buchmeiser group for: "Isomers of Molybdenum Imido Alkyli...
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... -
Replication data of Kästner group for: "Ruthenium-Catalyzed Secondary Amine F...
In this dataset, all simulation data are listed. That includes all geometry optimized structures as xyz-files and all input-files for the calculations as chm-files. The files... -
Replication data of Kästner group for: "How Solid Surfaces Control Stability ...
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations and solid-state NMR calculations. The folders with the... -
Data for "Betainic and ionic tungsten (VI) imido alkylidene N-heterocyclic ol...
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... -
Replication data of Lotsch group for: "Postsynthetic Transformation of Imine-...
Herein, we report a facile postsynthetic linkage conversion method giving synthetic access to nitrone-linked covalent organic frameworks (COFs) from imine- and amine-linked...