Data for "Long-Range and Coupled Rotor Dynamics in NO2-MIL-53(Al) by Classical Molecular Dynamics"

DOI:10.4121/08ed7ce7-fd71-4ace-a671-82a0a379c902.v1
The DOI displayed above is for this specific version of this dataset, which is currently the latest. Newer versions may be published in the future. For a link that will always point to the latest version, please use
DOI: 10.4121/08ed7ce7-fd71-4ace-a671-82a0a379c902

Datacite citation style

Srinidhi Mula; Bierkens, Joris; Vanduyfhuys, Louis; van der Veen, Monique A. (2024): Data for "Long-Range and Coupled Rotor Dynamics in NO2-MIL-53(Al) by Classical Molecular Dynamics". Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/08ed7ce7-fd71-4ace-a671-82a0a379c902.v1
Other citation styles (APA, Harvard, MLA, Vancouver, Chicago, IEEE) available at Datacite

Dataset

Supplementary information and raw data for force field generation, validation and molecular dynamics simulations in Nitro MIL53

History

  • 2024-08-09 first online, published, posted

Publisher

4TU.ResearchData

Format

VASP, YAFF and LAMMPS software input files, Python scripts

Organizations

TU Delft, Faculty of Applied Sciences, Department of Chemical Engineering, Section of Catalysis Engineering

DATA

Files (9)