145,104 datasets found

Solid state NMR data for the immobilized catalyst. Primary data files and processed data of the journal article from the Dyballa group.

All primary and processed data of the DFT calculation for the journal article. Each calculation (input and output files) is contained in one directory.

All primary data files and processed data of the calculations contributing to the journal article. The input and output files of each case are given in one directory.

This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files are provided for the...