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Replication Data for: Transferable Anisotropic Mie Potential Force Field for ... Dataset
Supplementary material is provided for the Transferable Anisotropic Mie Potential Force Field for Alkanediols, including files for rerunning TURBOMOLE DFT calculations for... -
Additional data related to Weirich et al.: Discovery of new NSD2 non-histone ... Dataset
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... -
Replication data of Estes group for: Reversible Oxidative Additions of Weak A... Dataset
All primary data files of measurements and processed data of the journal article mentioned under related publications from Estes group can be found here. The data (mainly NMR... -
Data for: Olefin Metathesis under Spatial Confinement and Continuous Flow: In... Dataset
Olefin Metathesis under Spatial Confinement and Continuous Flow: We study olefin metathesis with a focus on isomers formed as by-products. For that purpose, a 2D-LC/MS system is... -
Data for Comparison of the Catalytic Activity of Surface-Immobilized Copper C... Dataset
This file contains the NMR- and UV/Vis data relevant to the publication given in the title. This data was produced in the course of our work on alumina immobilized Cu catalysts... -
Supporting Information: Notebooks, Solute Configurations and Solvation Free E... Dataset
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... Dataset
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 ... Dataset
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 Dataset
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... Dataset
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 ... Dataset
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... Dataset
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... Dataset
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 ... Dataset
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... Dataset
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... Dataset
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... Dataset
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... Dataset
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 ... Dataset
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... Dataset
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...
