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Replication Data for "Investigating the Long-Term Kinetics of Pd Nanoparticle... Dataset
All data files related to the publications, reaction conditions, and characterization equipment are discussed in detail in the publication. Kinetic behavior related to the Pd... -
Replication Data for: Biocatalytic stereocontrolled head-to-tail cyclizations... Dataset
This data set contains all relevant simulation input files (topologies, coordinates, simulation parameters), generated simulation output (final configurations, time series of... -
Data for: ART-SM: Boosting Fragment-Based Backmapping by Machine Learning Dataset
The simulation files, molecule topologies, and analysis workflows required to generate the results of our paper 'ART-SM: Boosting Fragment-Based Backmapping by Machine Learning'... -
Replication data of Buchmeiser group for: "Stereoselective Ring Expansion Met... Dataset
Synthetic proofs in form of 1H, 13C, 19 F NMR spectra, as well as GPC traces for polymers, the presented MALDI-TOF spectrum, Data files for the crystal structure as well as data... -
Replication data of B3 group for: “Chirality Transfer of Stereogenic Boron Ce... Dataset
In this dataset all HPLC (high performance liquid chromatography) chromatograms and NMR spectra of O,N- and C,N-chelates, intermediates, ate-complexes and borates of the... -
Supplementary material for "Influence of Ionic Liquid Film Thickness and Flow... Dataset
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication as well as GC-MS and NMR data. We recommend viewing the data by choosing... -
HPLC raw data related to Koeppl et al.: Structure, function and substrate pre... Dataset
In this study, synthesis and cleavage reactions catalysed by S-adenosyl-L-homocysteine hydrolases originating from different domains of life were investigated. The reactions... -
Replication Data of Kästner group for: "Chirality Transfer of Stereogenic Bor... Dataset
In this dataset, all optimized geometries from the calculations are listed. The files are given in xyz-format. -
Replication Data for: "ddX: Polarizable Continuum Solvation from Small Molecu... Dataset
Data for reproducibility of the numerical simulations of the research paper "ddX: Polarizable Continuum Solvation from Small Molecules to Proteins". -
Replication Data for: Bridging Microscopic Dynamics and Hydraulic Permeabilit... Dataset
Simulation input scripts used for "Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials" The folders the corresponding... -
Replication Data for: "Light-driven molecular motors embedded in covalent org... Dataset
The incorporation of molecular machines into the backbone of porous framework structures will facilitate nano actuation, enhanced molecular transport, and other... -
Replication Data for: "Downsizing Porphyrin Covalent Organic Framework Partic... Dataset
All primary data files of the journal article mentioned can be found here. The data is structured by the materials, electrodes, and models. The characterization data of each... -
Data for: 'EnzymeML-based modeling workflow: from raw data to kinetic paramet... Dataset
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 (... 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: A Complementary Experimental and Theoretical Approach f... Dataset
This dataset contains raw and processed data corresponding to all the atomic force microscopy (AFM), scanning electron microscopy (SEM), polarization-modulation infrared... -
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...
