-
Replication Data for: Grassmann Extrapolation for Accelerating Geometry Optim... Dataset
Data for reproducibility of the numerical simulations of the research paper: Grassmann Extrapolation for Accelerating Geometry Optimization -
Replication Data for: Fully guaranteed and computable error bounds on the ene... Dataset
Data for reproducibility of the numerical simulations of the research paper "Fully guaranteed and computable error bounds on the energy for periodic Kohn-Sham equations with... -
Replication Data for: "Influence of Water Content on Speciation and Phase For... Dataset
All primary data files of the journal article mentioned can be found here. The data is structured by the measurement techniques in the subfolders "PXRD", "TGA", "NMR", "PDF",... -
Data for: Pros and cons of airlift and bubble column bioreactors: How interna... Dataset
The DaRUS repository entails the simulation data for the publication "Pros and cons of airlift and bubble column bioreactors: How internals improve performance". Gas... -
Data Supplement (PhD Thesis Cicac-Hudi, Mario) Dataset
The document contains the Data supplement to the PhD Thesis of Cicac-Hudi, Mario. The document contains representations of processed spectroscopic data (NMR spectra, FTIR... -
Replication Data for: High-resolution cw laser spectroscopy of long-lived Ryd... Dataset
This dataset holds all measurement data, as well as the evaluation and plotting scripts to replicate all figures of the paper. Please refer to the README.md file for more... -
Data for Hydrogen Spillover through Hydride Transfer: The Reaction of ZnO and... Dataset
The data set contains TEM images, XAS data, EPR data, MAS NMR data and NMR data of zinc oxide and zirconium oxide samples before and after treatment with molecular metal hydrides. -
Replication Data for: Wetting behavior in the inertial phase of droplet impac... Dataset
Replication Data for: Wetting behavior in the inertial phase of droplet impacts onto sub-millimeter microstructured surfaces, published in the Journal of Colloid and Interface... -
Replication data of Buchmeiser group for: "Synthetic and Structural Peculiari... 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... -
Code for training and using the droplet segmentation models Dataset
This dataset contains the necessary code for using our spray segmentation model used in the paper, Machine learning based spray process quantification. More information can be... -
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...
