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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

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

DOI retrieved: December 17, 2024

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