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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... -
Replication data of Lotsch group for: "Postsynthetic Transformation of Imine-... Dataset
Herein, we report a facile postsynthetic linkage conversion method giving synthetic access to nitrone-linked covalent organic frameworks (COFs) from imine- and amine-linked... -
Replication data of Kästner group for: "Neutral and Cationic Molybdenum Imido... Dataset
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations. Furthermore, the spreadsheet with the collected data is... -
Replication data of C6 group for: "Disentanglement of surface and confinement... Dataset
The simulation scripts and the simulation data of the journal article mentioned under related publications from C6 group can be found here. The data is structured according to... -
Replication Data for: Cooperative Lewis Acid-1,2,3-Triazolium-Aryloxide Catal... Dataset
development and optimization of catalysis, mechanistic experiments, synthetic description of ligand and catalyst synthesis, application of catalysts, synthetic use of products,... -
Data for: "Understanding the Reducibility of CeO2 Catalyst Surfaces by Proton... Dataset
This file contains titration results as well as IR, EPR, XRD, and XAS data of the reduced cerium oxide samples synthesized in the publication in the title. File structure is...
