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Fe/N2 Dataset

The Fe/N2 dataset consists of molecular dynamics simulations of a nitrogen molecule adsorbing on an iron (Fe) surface at high temperature (T = 700 K) and breaking in two nitrogen atoms.

Data and Resources

This dataset has no data

Cite this as

John I. Falk, Luigi Bonati, Pietro Novelli, Michele Parrinello, Massimiliano Pontil (2024). Dataset: Fe/N2 Dataset. https://doi.org/10.57702/ypnflro2

Private DOI This DOI is not yet resolvable.
It is available for use in manuscripts, and will be published when the Dataset is made public.

Additional Info

Field	Value
Created	December 17, 2024
Last update	December 17, 2024
Defined In	https://doi.org/10.48550/arXiv.2306.01589
Author	John I. Falk
More Authors	Luigi Bonati Pietro Novelli Michele Parrinello Massimiliano Pontil
Homepage	https://doi.org/10.1021/acs.catal.1c00134